[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine

C16H26N4S — CID 43530322

IUPAC[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Sc2nnc(C3CC3)n2C2CC2)C1
InChIInChI=1S/C16H26N4S/c1-10-2-3-12(9-17)14(8-10)21-16-19-18-15(11-4-5-11)20(16)13-6-7-13/h10-14H,2-9,17H2,1H3
InChIKeyZYSQPIWCYDSBNO-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.35
Rot. Bonds5

About [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine

[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine (PubChem CID 43530322) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine
PubChem CID43530322
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Sc2nnc(C3CC3)n2C2CC2)C1
InChIInChI=1S/C16H26N4S/c1-10-2-3-12(9-17)14(8-10)21-16-19-18-15(11-4-5-11)20(16)13-6-7-13/h10-14H,2-9,17H2,1H3
InChIKeyZYSQPIWCYDSBNO-UHFFFAOYSA-N
XLogP3.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]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 [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine (CID 43530322) is [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(Sc2nnc(C3CC3)n2C2CC2)C1.
What is the InChIKey of [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine?
The InChIKey is ZYSQPIWCYDSBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-10-2-3-12(9-17)14(8-10)21-16-19-18-15(11-4-5-11)20(16)13-6-7-13/h10-14H,2-9,17H2,1H3.
What are the key properties of [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine?
[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine has a molecular weight of 306.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 43530322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).