Name: Name:7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
Brand: Angene
SKU: AG00BEU0
Rating: 90 (10 reviews)

7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

CAS No.:

220493-61-8

Catalog Number:

AG00BEU0

Molecular Formula:

C6H4N4O3

Molecular Weight:

180.1210

Catalog Number:

AG00BEU0

Chemical Name:

7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

CAS Number:

220493-61-8

Molecular Formula:

C6H4N4O3

Molecular Weight:

180.1210

IUPAC Name:

7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

InChI:

InChI=1S/C6H4N4O3/c11-4-3(5(12)13)1-7-6-8-2-9-10(4)6/h1-2H,(H,12,13)(H,7,8,9)

InChI Key:

BVJYXVOQPBYXDV-UHFFFAOYSA-N

SMILES:

OC(=O)c1c[nH]c2n(c1=O)ncn2

Complexity:

381

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.028g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.123g/mol

Monoisotopic Mass:

180.028g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6