Name: Name:4-(oxolan-2-ylmethyl)-5-(piperidin-1-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019K8L
Rating: 90 (10 reviews)

4-(oxolan-2-ylmethyl)-5-(piperidin-1-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:

923124-24-7

Catalog Number:

AG019K8L

Molecular Formula:

C12H20N4OS

Molecular Weight:

268.3784

Catalog Number:

AG019K8L

Chemical Name:

4-(oxolan-2-ylmethyl)-5-(piperidin-1-yl)-4H-1,2,4-triazole-3-thiol

CAS Number:

923124-24-7

Molecular Formula:

C12H20N4OS

Molecular Weight:

268.3784

MDL Number:

MFCD08691153

IUPAC Name:

4-(oxolan-2-ylmethyl)-3-piperidin-1-yl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C12H20N4OS/c18-12-14-13-11(15-6-2-1-3-7-15)16(12)9-10-5-4-8-17-10/h10H,1-9H2,(H,14,18)

InChI Key:

IETOCPAEZACYLX-UHFFFAOYSA-N

SMILES:

Sc1nnc(n1CC1CCCO1)N1CCCCC1

Complexity:

354

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.379g/mol

Monoisotopic Mass:

268.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2