Name: Name:4-(2-methoxyphenyl)-5-(piperidin-1-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019OEI
Rating: 90 (10 reviews)

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

CAS No.:

847783-71-5

Catalog Number:

AG019OEI

Molecular Formula:

C14H18N4OS

Molecular Weight:

290.3839

Catalog Number:

AG019OEI

Chemical Name:

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

CAS Number:

847783-71-5

Molecular Formula:

C14H18N4OS

Molecular Weight:

290.3839

MDL Number:

MFCD07314188

IUPAC Name:

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

InChI:

InChI=1S/C14H18N4OS/c1-19-12-8-4-3-7-11(12)18-13(15-16-14(18)20)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,20)

InChI Key:

WQQGHHOLZRXRTI-UHFFFAOYSA-N

SMILES:

COc1ccccc1n1c(S)nnc1N1CCCCC1

Complexity:

395

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

290.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

290.385g/mol

Monoisotopic Mass:

290.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4