1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine

C8H16N4S — CID 62695681

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCCn1ncnc1C(N)CCSC
InChIInChI=1S/C8H16N4S/c1-3-12-8(10-6-11-12)7(9)4-5-13-2/h6-7H,3-5,9H2,1-2H3
InChIKeyRXVUWLIVXKFLMW-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.05
Rot. Bonds5

About 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine

1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 62695681) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
PubChem CID62695681
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCCn1ncnc1C(N)CCSC
InChIInChI=1S/C8H16N4S/c1-3-12-8(10-6-11-12)7(9)4-5-13-2/h6-7H,3-5,9H2,1-2H3
InChIKeyRXVUWLIVXKFLMW-UHFFFAOYSA-N
XLogP1.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-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 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine (CID 62695681) is 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine is CCn1ncnc1C(N)CCSC.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is RXVUWLIVXKFLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-3-12-8(10-6-11-12)7(9)4-5-13-2/h6-7H,3-5,9H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 200.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 62695681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).