4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine

C12H22N4S — CID 104604505

IUPAC4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
SMILESCCC1CCC(NC)C(Sc2ncnn2C)C1
InChIInChI=1S/C12H22N4S/c1-4-9-5-6-10(13-2)11(7-9)17-12-14-8-15-16(12)3/h8-11,13H,4-7H2,1-3H3
InChIKeyHGRIYHYKRQCKQC-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.07
Rot. Bonds4

About 4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine

4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine (PubChem CID 104604505) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
PubChem CID104604505
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
SMILESCCC1CCC(NC)C(Sc2ncnn2C)C1
InChIInChI=1S/C12H22N4S/c1-4-9-5-6-10(13-2)11(7-9)17-12-14-8-15-16(12)3/h8-11,13H,4-7H2,1-3H3
InChIKeyHGRIYHYKRQCKQC-UHFFFAOYSA-N
XLogP2.07
TPSA42.74 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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-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

Related Compounds

N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-phenylcyclohexan-1-amine
CID 104604714
4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64626698
4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine
CID 107783843
4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64620075
N,2,2-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 104604598
N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 104604722
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cycloheptan-1-ol
CID 104603439
N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
CID 64648574
N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64648516
N-ethyl-4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104604729
4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64627044
4,4-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 104604543

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine (CID 104604505) is 4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine is CCC1CCC(NC)C(Sc2ncnn2C)C1.
What is the InChIKey of 4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine?
The InChIKey is HGRIYHYKRQCKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-4-9-5-6-10(13-2)11(7-9)17-12-14-8-15-16(12)3/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine?
4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine is sourced from PubChem (CID 104604505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).