Name: Name:5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-carboxylic acid
Brand: Angene
SKU: AG01A9GH
Rating: 90 (10 reviews)

5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-carboxylic acid

CAS No.:

1155462-84-2

Catalog Number:

AG01A9GH

Molecular Formula:

C12H11N3O2

Molecular Weight:

229.2346

Catalog Number:

AG01A9GH

Chemical Name:

5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-carboxylic acid

CAS Number:

1155462-84-2

Molecular Formula:

C12H11N3O2

Molecular Weight:

229.2346

MDL Number:

MFCD12106556

IUPAC Name:

5-cyclopropyl-1-phenyl-1,2,4-triazole-3-carboxylic acid

InChI:

InChI=1S/C12H11N3O2/c16-12(17)10-13-11(8-6-7-8)15(14-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,16,17)

InChI Key:

OKHTXDLPXCPMNK-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(c(n1)C1CC1)c1ccccc1

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.239g/mol

Monoisotopic Mass:

229.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1