Name: Name:2-(3-cyano-1H-1,2,4-triazol-1-yl)butanoic acid
Brand: Angene
SKU: AG01AUV5
Rating: 90 (10 reviews)

2-(3-cyano-1H-1,2,4-triazol-1-yl)butanoic acid

CAS No.:

1249125-02-7

Catalog Number:

AG01AUV5

Molecular Formula:

C7H8N4O2

Molecular Weight:

180.1640

Catalog Number:

AG01AUV5

Chemical Name:

2-(3-cyano-1H-1,2,4-triazol-1-yl)butanoic acid

CAS Number:

1249125-02-7

Molecular Formula:

C7H8N4O2

Molecular Weight:

180.1640

MDL Number:

MFCD17241705

IUPAC Name:

2-(3-cyano-1,2,4-triazol-1-yl)butanoic acid

InChI:

InChI=1S/C7H8N4O2/c1-2-5(7(12)13)11-4-9-6(3-8)10-11/h4-5H,2H2,1H3,(H,12,13)

InChI Key:

AGMJUQOUQIJLIL-UHFFFAOYSA-N

SMILES:

CCC(n1cnc(n1)C#N)C(=O)O

Complexity:

246

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.167g/mol

Monoisotopic Mass:

180.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7