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

C4H8N4S — CID 4210849

IUPAC3-methyl-5-methylsulfanyl-1,2,4-triazol-4-amine
SMILESCSc1nnc(C)n1N
InChIInChI=1S/C4H8N4S/c1-3-6-7-4(9-2)8(3)5/h5H2,1-2H3
InChIKeyRCNIVPWINMSHOV-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.02
Rot. Bonds1

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

3-methyl-5-methylsulfanyl-1,2,4-triazol-4-amine (PubChem CID 4210849) has the molecular formula C4H8N4S and a molecular weight of 144.20 g/mol. Its IUPAC name is 3-methyl-5-methylsulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-methylsulfanyl-1,2,4-triazol-4-amine
PubChem CID4210849
Molecular FormulaC4H8N4S
Molecular Weight144.20 g/mol
Exact Mass144.05
IUPAC Name3-methyl-5-methylsulfanyl-1,2,4-triazol-4-amine
SMILESCSc1nnc(C)n1N
InChIInChI=1S/C4H8N4S/c1-3-6-7-4(9-2)8(3)5/h5H2,1-2H3
InChIKeyRCNIVPWINMSHOV-UHFFFAOYSA-N
XLogP0.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-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-methyl-5-methylsulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-methyl-5-methylsulfanyl-1,2,4-triazol-4-amine (CID 4210849) is 3-methyl-5-methylsulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-methyl-5-methylsulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-methyl-5-methylsulfanyl-1,2,4-triazol-4-amine is CSc1nnc(C)n1N.
What is the InChIKey of 3-methyl-5-methylsulfanyl-1,2,4-triazol-4-amine?
The InChIKey is RCNIVPWINMSHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S/c1-3-6-7-4(9-2)8(3)5/h5H2,1-2H3.
What are the key properties of 3-methyl-5-methylsulfanyl-1,2,4-triazol-4-amine?
3-methyl-5-methylsulfanyl-1,2,4-triazol-4-amine has a molecular weight of 144.20 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylsulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 4210849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).