Name: Name:5-(1-methyl-1H-pyrazol-5-yl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01EKO8
Rating: 90 (10 reviews)

5-(1-methyl-1H-pyrazol-5-yl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

2092700-92-8

Catalog Number:

AG01EKO8

Molecular Formula:

C7H7N5O2

Molecular Weight:

193.1628

Catalog Number:

AG01EKO8

Chemical Name:

5-(1-methyl-1H-pyrazol-5-yl)-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

2092700-92-8

Molecular Formula:

C7H7N5O2

Molecular Weight:

193.1628

MDL Number:

MFCD31462692

IUPAC Name:

5-(2-methylpyrazol-3-yl)-2H-triazole-4-carboxylic acid

InChI:

InChI=1S/C7H7N5O2/c1-12-4(2-3-8-12)5-6(7(13)14)10-11-9-5/h2-3H,1H3,(H,13,14)(H,9,10,11)

InChI Key:

SSFMWVZBMAISBS-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn[nH]c1c1ccnn1C

Complexity:

236

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.06g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.166g/mol

Monoisotopic Mass:

193.06g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5