Name: Name:5-(3,5-dimethylpiperidin-1-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019K96
Rating: 90 (10 reviews)

5-(3,5-dimethylpiperidin-1-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

923752-53-8

Catalog Number:

AG019K96

Molecular Formula:

C14H20N4OS

Molecular Weight:

292.3998

Catalog Number:

AG019K96

Chemical Name:

5-(3,5-dimethylpiperidin-1-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

923752-53-8

Molecular Formula:

C14H20N4OS

Molecular Weight:

292.3998

MDL Number:

MFCD08691178

IUPAC Name:

3-(3,5-dimethylpiperidin-1-yl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C14H20N4OS/c1-10-6-11(2)8-17(7-10)13-15-16-14(20)18(13)9-12-4-3-5-19-12/h3-5,10-11H,6-9H2,1-2H3,(H,16,20)

InChI Key:

AGVBDWZDDHQLBZ-UHFFFAOYSA-N

SMILES:

CC1CC(C)CN(C1)c1nnc(n1Cc1ccco1)S

Complexity:

404

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

292.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

292.401g/mol

Monoisotopic Mass:

292.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3