Name: Name:1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-phenyl-
Brand: Angene
SKU: AG002IX4
Rating: 90 (10 reviews)

1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-phenyl-

CAS No.:

20725-32-0

Catalog Number:

AG002IX4

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

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Product Description

Catalog Number:

AG002IX4

Chemical Name:

1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-phenyl-

CAS Number:

20725-32-0

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

MDL Number:

MFCD00100217

IUPAC Name:

5-methyl-1-phenyltriazole-4-carboxylic acid

InChI:

InChI=1S/C10H9N3O2/c1-7-9(10(14)15)11-12-13(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)

InChI Key:

RRHCZOBPABYIJZ-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1C)c1ccccc1

NSC Number:

133540

Properties

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.201g/mol

Monoisotopic Mass:

203.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
5-Methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid.	Acta crystallographica. Section E, Structure reports online 20080901
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties