5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine

C15H14N4S — CID 555866

IUPAC5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine
SMILESCSc1nnc(Nc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C15H14N4S/c1-20-15-18-17-14(16-12-8-4-2-5-9-12)19(15)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)
InChIKeyLSESMCQHRUHRCS-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.73
Rot. Bonds4

About 5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine

5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine (PubChem CID 555866) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine
PubChem CID555866
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine
SMILESCSc1nnc(Nc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C15H14N4S/c1-20-15-18-17-14(16-12-8-4-2-5-9-12)19(15)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)
InChIKeyLSESMCQHRUHRCS-UHFFFAOYSA-N
XLogP3.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine (CID 555866) is 5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine is CSc1nnc(Nc2ccccc2)n1-c1ccccc1.
What is the InChIKey of 5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine?
The InChIKey is LSESMCQHRUHRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-20-15-18-17-14(16-12-8-4-2-5-9-12)19(15)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17).
What are the key properties of 5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine?
5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine has a molecular weight of 282.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N,4-diphenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 555866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).