Name: Name:1-{[1,2,3,4]tetrazolo[1,5-a]pyrazin-5-yl}-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01A1BY
Rating: 90 (10 reviews)

1-{[1,2,3,4]tetrazolo[1,5-a]pyrazin-5-yl}-1H-pyrazole-4-carboxylic acid

CAS No.:

1282434-07-4

Catalog Number:

AG01A1BY

Molecular Formula:

C8H5N7O2

Molecular Weight:

231.1710

Catalog Number:

AG01A1BY

Chemical Name:

1-{[1,2,3,4]tetrazolo[1,5-a]pyrazin-5-yl}-1H-pyrazole-4-carboxylic acid

CAS Number:

1282434-07-4

Molecular Formula:

C8H5N7O2

Molecular Weight:

231.1710

MDL Number:

MFCD16531313

IUPAC Name:

1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C8H5N7O2/c16-8(17)5-1-10-14(4-5)7-3-9-2-6-11-12-13-15(6)7/h1-4H,(H,16,17)

InChI Key:

KFBBBNMSVXKAAB-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnn(c1)c1cncc2n1nnn2

Complexity:

314

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.05g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.175g/mol

Monoisotopic Mass:

231.05g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

111A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.9