Name: Name:4-amino-5-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG01A0SA
Rating: 90 (10 reviews)

4-amino-5-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-4H-1,2,4-triazole-3-thiol

CAS No.:

893642-81-4

Catalog Number:

AG01A0SA

Molecular Formula:

C8H10N6S

Molecular Weight:

222.2702

Catalog Number:

AG01A0SA

Chemical Name:

4-amino-5-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-4H-1,2,4-triazole-3-thiol

CAS Number:

893642-81-4

Molecular Formula:

C8H10N6S

Molecular Weight:

222.2702

MDL Number:

MFCD07364368

IUPAC Name:

4-amino-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C8H10N6S/c9-14-7(12-13-8(14)15)6-4-2-1-3-5(4)10-11-6/h1-3,9H2,(H,10,11)(H,13,15)

InChI Key:

PQBYXXJBVDRLGI-UHFFFAOYSA-N

SMILES:

Nn1c(S)nnc1c1n[nH]c2c1CCC2

Complexity:

329

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.27g/mol

Monoisotopic Mass:

222.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

114A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2