Name: Name:4-cyclopropyl-5-(4-methylpiperidin-1-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019K95
Rating: 90 (10 reviews)

4-cyclopropyl-5-(4-methylpiperidin-1-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:

923121-82-8

Catalog Number:

AG019K95

Molecular Formula:

C11H18N4S

Molecular Weight:

238.3524

Catalog Number:

AG019K95

Chemical Name:

4-cyclopropyl-5-(4-methylpiperidin-1-yl)-4H-1,2,4-triazole-3-thiol

CAS Number:

923121-82-8

Molecular Formula:

C11H18N4S

Molecular Weight:

238.3524

MDL Number:

MFCD08691177

IUPAC Name:

4-cyclopropyl-3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C11H18N4S/c1-8-4-6-14(7-5-8)10-12-13-11(16)15(10)9-2-3-9/h8-9H,2-7H2,1H3,(H,13,16)

InChI Key:

GJRSBHMBPMQTFZ-UHFFFAOYSA-N

SMILES:

CC1CCN(CC1)c1nnc(n1C1CC1)S

Complexity:

329

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.353g/mol

Monoisotopic Mass:

238.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8