3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

C10H12N4S — CID 731925

IUPAC3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESCc1ccccc1CSc1nncn1N
InChIInChI=1S/C10H12N4S/c1-8-4-2-3-5-9(8)6-15-10-13-12-7-14(10)11/h2-5,7H,6,11H2,1H3
InChIKeyUVAUEHMNFBWZNL-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.59
Rot. Bonds3

About 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine (PubChem CID 731925) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
PubChem CID731925
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESCc1ccccc1CSc1nncn1N
InChIInChI=1S/C10H12N4S/c1-8-4-2-3-5-9(8)6-15-10-13-12-7-14(10)11/h2-5,7H,6,11H2,1H3
InChIKeyUVAUEHMNFBWZNL-UHFFFAOYSA-N
XLogP1.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-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 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine (CID 731925) is 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine is Cc1ccccc1CSc1nncn1N.
What is the InChIKey of 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is UVAUEHMNFBWZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-8-4-2-3-5-9(8)6-15-10-13-12-7-14(10)11/h2-5,7H,6,11H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 220.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 731925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).