Name: Name:4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG01A0S7
Rating: 90 (10 reviews)

4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol

CAS No.:

366007-58-1

Catalog Number:

AG01A0S7

Molecular Formula:

C12H12N6S

Molecular Weight:

272.3289

Catalog Number:

AG01A0S7

Chemical Name:

4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol

CAS Number:

366007-58-1

Molecular Formula:

C12H12N6S

Molecular Weight:

272.3289

MDL Number:

MFCD07364365

IUPAC Name:

4-amino-3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C12H12N6S/c1-7-2-4-8(5-3-7)9-6-10(15-14-9)11-16-17-12(19)18(11)13/h2-6H,13H2,1H3,(H,14,15)(H,17,19)

InChI Key:

AIKVQBZUBVZPFT-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)c1n[nH]c(c1)c1nnc(n1N)S

Complexity:

390

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

272.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

272.33g/mol

Monoisotopic Mass:

272.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

114A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5