Name: Name:2-(3-carbamoyl-1H-1,2,4-triazol-1-yl)acetic acid
Brand: Angene
SKU: AG01C56P
Rating: 90 (10 reviews)

2-(3-carbamoyl-1H-1,2,4-triazol-1-yl)acetic acid

CAS No.:

1909305-19-6

Catalog Number:

AG01C56P

Molecular Formula:

C5H6N4O3

Molecular Weight:

170.1261

Catalog Number:

AG01C56P

Chemical Name:

2-(3-carbamoyl-1H-1,2,4-triazol-1-yl)acetic acid

CAS Number:

1909305-19-6

Molecular Formula:

C5H6N4O3

Molecular Weight:

170.1261

MDL Number:

MFCD29763320

IUPAC Name:

2-(3-carbamoyl-1,2,4-triazol-1-yl)acetic acid

InChI:

InChI=1S/C5H6N4O3/c6-4(12)5-7-2-9(8-5)1-3(10)11/h2H,1H2,(H2,6,12)(H,10,11)

InChI Key:

CMLHYHSPLZQNML-UHFFFAOYSA-N

SMILES:

OC(=O)Cn1cnc(n1)C(=O)N

Complexity:

207

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

170.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

170.128g/mol

Monoisotopic Mass:

170.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

111A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.1