2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine

C10H12N4S — CID 15578941

IUPAC2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)n(Cc2ccccc2)n1
InChIInChI=1S/C10H12N4S/c1-15-10-12-9(11)14(13-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12,13)
InChIKeyFRRNTDUEQXVDAE-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.63
Rot. Bonds3

About 2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine

2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine (PubChem CID 15578941) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine
PubChem CID15578941
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)n(Cc2ccccc2)n1
InChIInChI=1S/C10H12N4S/c1-15-10-12-9(11)14(13-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12,13)
InChIKeyFRRNTDUEQXVDAE-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-5-methylsulfanyl-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 2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine (CID 15578941) is 2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine is CSc1nc(N)n(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine?
The InChIKey is FRRNTDUEQXVDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-15-10-12-9(11)14(13-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12,13).
What are the key properties of 2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine?
2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine has a molecular weight of 220.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 15578941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).