Name: Name:1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01AEZ8
Rating: 90 (10 reviews)

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

CAS No.:

933737-38-3

Catalog Number:

AG01AEZ8

Molecular Formula:

C8H6N4O2

Molecular Weight:

190.1588

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Product Description

Catalog Number:

AG01AEZ8

Chemical Name:

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

CAS Number:

933737-38-3

Molecular Formula:

C8H6N4O2

Molecular Weight:

190.1588

MDL Number:

MFCD18260891

IUPAC Name:

1-pyridin-3-yltriazole-4-carboxylic acid

InChI:

InChI=1S/C8H6N4O2/c13-8(14)7-5-12(11-10-7)6-2-1-3-9-4-6/h1-5H,(H,13,14)

InChI Key:

CFLQPPVBAQNLTQ-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1)c1cccnc1

Properties

Complexity:

223

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

190.162g/mol

Monoisotopic Mass:

190.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

Literature

Title	Journal
Synthesis and antibiotic activity of a small molecules library of 1,2,3-triazole derivatives.	Bioorganic & medicinal chemistry letters 20080201