Name: Name:1H-1,2,4-Triazole-5-carboxylic acid
Brand: Angene
SKU: AG0035YS
Rating: 90 (10 reviews)

Catalog Number:

AG0035YS

Chemical Name:

1H-1,2,4-Triazole-5-carboxylic acid

CAS Number:

4928-87-4

Molecular Formula:

C3H3N3O2

Molecular Weight:

113.0748

MDL Number:

MFCD00078268

IUPAC Name:

1H-1,2,4-triazole-5-carboxylic acid

InChI:

InChI=1S/C3H3N3O2/c7-3(8)2-4-1-5-6-2/h1H,(H,7,8)(H,4,5,6)

InChI Key:

LJVQHXICFCZRJN-UHFFFAOYSA-N

SMILES:

OC(=O)c1n[nH]cn1

EC Number:

610-450-5

UNII:

7MLK3JCX3W

Complexity:

105

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

113.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

113.076g/mol

Monoisotopic Mass:

113.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2

Title	Journal
Sonochemical syntheses and characterization of nano-sized lead(II) coordination polymer with ligand 1H-1,2,4-triazole-3-carboxylate.	Ultrasonics sonochemistry 20120301
Pressure and temperature spin crossover sensors with optical detection.	Sensors (Basel, Switzerland) 20120101
Bis(μ-5-diisopropyl-amino-1,2,3,4-tetra-zolido-κN:N)bis-[(triisopropyl-phosphane)copper(I)].	Acta crystallographica. Section E, Structure reports online 20110701
Flexible and asymmetric ligand in constructing coordinated complexes: synthesis, crystal structures and fluorescent characterization.	International journal of molecular sciences 20110101
Spin transition sensors based on β-amino-acid 1,2,4-triazole derivative.	International journal of molecular sciences 20110101
Excited state localization and internuclear interactions in asymmetric ruthenium(II) and osmium(II) bpy/tpy based dinuclear compounds.	Inorganic chemistry 20100315
Nitrato(1,10-phenanthroline)(1H-1,2,4-triazole-3-carboxyl-ato)copper(II).	Acta crystallographica. Section E, Structure reports online 20080201
Diaqua-bis(1H-1,2,4-triazole-3-carboxyl-ato)cadmium(II).	Acta crystallographica. Section E, Structure reports online 20080101
Chlorido(1,10-phenanthroline)(1H-1,2,4-triazole-3-carboxyl-ato)copper(II).	Acta crystallographica. Section E, Structure reports online 20080101
Experimental and theoretical study of the coordination of 1,2,4-triazolato, tetrazolato, and pentazolato ligands to the [K(18-crown-6)]+ fragment.	Inorganic chemistry 20061016
Synthesis, structural characterization, and properties of chromium(III) complexes containing amidinato ligands and eta2-pyrazolato, eta(2)-1,2,4-triazolato, or eta1-tetrazolato ligands.	Dalton transactions (Cambridge, England : 2003) 20061007
Early transition metal complexes containing 1,2,4-triazolato and tetrazolato ligands: synthesis, structure, and molecular orbital studies.	Inorganic chemistry 20011203