[4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine

C12H22N4S — CID 43530557

IUPAC[4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Sc2nncn2C)C1
InChIInChI=1S/C12H22N4S/c1-3-9-4-5-10(7-13)11(6-9)17-12-15-14-8-16(12)2/h8-11H,3-7,13H2,1-2H3
InChIKeyXUQAKKCGXZTJBO-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.06
Rot. Bonds4

About [4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine

[4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine (PubChem CID 43530557) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is [4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
PubChem CID43530557
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name[4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Sc2nncn2C)C1
InChIInChI=1S/C12H22N4S/c1-3-9-4-5-10(7-13)11(6-9)17-12-15-14-8-16(12)2/h8-11H,3-7,13H2,1-2H3
InChIKeyXUQAKKCGXZTJBO-UHFFFAOYSA-N
XLogP2.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine 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 [4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine (CID 43530557) is [4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine is CCC1CCC(CN)C(Sc2nncn2C)C1.
What is the InChIKey of [4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The InChIKey is XUQAKKCGXZTJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-3-9-4-5-10(7-13)11(6-9)17-12-15-14-8-16(12)2/h8-11H,3-7,13H2,1-2H3.
What are the key properties of [4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
[4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine has a molecular weight of 254.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 43530557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).