Name: Name:5-methyl-2-(pyridin-3-yl)-2H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01BXHE
Rating: 90 (10 reviews)

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

CAS No.:

933744-29-7

Catalog Number:

AG01BXHE

Molecular Formula:

C9H8N4O2

Molecular Weight:

204.1854

Catalog Number:

AG01BXHE

Chemical Name:

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

CAS Number:

933744-29-7

Molecular Formula:

C9H8N4O2

Molecular Weight:

204.1854

MDL Number:

MFCD30497678

IUPAC Name:

5-methyl-2-pyridin-3-yltriazole-4-carboxylic acid

InChI:

InChI=1S/C9H8N4O2/c1-6-8(9(14)15)12-13(11-6)7-3-2-4-10-5-7/h2-5H,1H3,(H,14,15)

InChI Key:

FEHCYCGOQRQPHI-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(nc1C)c1cccnc1

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.189g/mol

Monoisotopic Mass:

204.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1