3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine

C8H14N4S — CID 130616955

IUPAC3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine
SMILESCc1nnc(SCC2CCC2)n1N
InChIInChI=1S/C8H14N4S/c1-6-10-11-8(12(6)9)13-5-7-3-2-4-7/h7H,2-5,9H2,1H3
InChIKeyXVSZRFLICOAQLA-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.19
Rot. Bonds3

About 3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine

3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine (PubChem CID 130616955) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine
PubChem CID130616955
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine
SMILESCc1nnc(SCC2CCC2)n1N
InChIInChI=1S/C8H14N4S/c1-6-10-11-8(12(6)9)13-5-7-3-2-4-7/h7H,2-5,9H2,1H3
InChIKeyXVSZRFLICOAQLA-UHFFFAOYSA-N
XLogP1.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(cyclobutylmethylsulfanyl)-5-methyl-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-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine (CID 130616955) is 3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine is Cc1nnc(SCC2CCC2)n1N.
What is the InChIKey of 3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine?
The InChIKey is XVSZRFLICOAQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-10-11-8(12(6)9)13-5-7-3-2-4-7/h7H,2-5,9H2,1H3.
What are the key properties of 3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine?
3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine has a molecular weight of 198.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 130616955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).