Name: Name:1,3-dimethyl-5-(1H-1,2,4-triazol-1-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01AGBH
Rating: 90 (10 reviews)

1,3-dimethyl-5-(1H-1,2,4-triazol-1-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1152565-70-2

Catalog Number:

AG01AGBH

Molecular Formula:

C8H9N5O2

Molecular Weight:

207.1894

Catalog Number:

AG01AGBH

Chemical Name:

1,3-dimethyl-5-(1H-1,2,4-triazol-1-yl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1152565-70-2

Molecular Formula:

C8H9N5O2

Molecular Weight:

207.1894

MDL Number:

MFCD11191346

IUPAC Name:

1,3-dimethyl-5-(1,2,4-triazol-1-yl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C8H9N5O2/c1-5-6(8(14)15)7(12(2)11-5)13-4-9-3-10-13/h3-4H,1-2H3,(H,14,15)

InChI Key:

KVLWCIJEBRVZLK-UHFFFAOYSA-N

SMILES:

Cn1nc(c(c1n1cncn1)C(=O)O)C

Complexity:

261

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

207.076g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

207.193g/mol

Monoisotopic Mass:

207.076g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2