Name: Name:7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Brand: Angene
SKU: AG01A70Y
Rating: 90 (10 reviews)

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

CAS No.:

34102-76-6

Catalog Number:

AG01A70Y

Molecular Formula:

C6H4N4O3

Molecular Weight:

180.1210

Catalog Number:

AG01A70Y

Chemical Name:

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

CAS Number:

34102-76-6

Molecular Formula:

C6H4N4O3

Molecular Weight:

180.1210

MDL Number:

MFCD20647861

IUPAC Name:

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

InChI:

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

InChI Key:

FZEGQZXFYKTDOK-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(=O)n2c([nH]1)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:

-1.1