Name: Name:4-(3-cyano-1H-1,2,4-triazol-1-yl)butanoic acid
Brand: Angene
SKU: AG01AUV6
Rating: 90 (10 reviews)

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

CAS No.:

1247050-59-4

Catalog Number:

AG01AUV6

Molecular Formula:

C7H8N4O2

Molecular Weight:

180.1640

Catalog Number:

AG01AUV6

Chemical Name:

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

CAS Number:

1247050-59-4

Molecular Formula:

C7H8N4O2

Molecular Weight:

180.1640

MDL Number:

MFCD17242068

IUPAC Name:

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

InChI:

InChI=1S/C7H8N4O2/c8-4-6-9-5-11(10-6)3-1-2-7(12)13/h5H,1-3H2,(H,12,13)

InChI Key:

WCCXUBKXAFELGY-UHFFFAOYSA-N

SMILES:

OC(=O)CCCn1cnc(n1)C#N

Complexity:

234

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:

-0.2