[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine

C10H18N4S — CID 61347072

IUPAC[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1nc(SC2CCCCC2CN)n[nH]1
InChIInChI=1S/C10H18N4S/c1-7-12-10(14-13-7)15-9-5-3-2-4-8(9)6-11/h8-9H,2-6,11H2,1H3,(H,12,13,14)
InChIKeyUYTUJTKKNUWBFS-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.72
Rot. Bonds3

About [2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine

[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine (PubChem CID 61347072) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is [2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
PubChem CID61347072
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1nc(SC2CCCCC2CN)n[nH]1
InChIInChI=1S/C10H18N4S/c1-7-12-10(14-13-7)15-9-5-3-2-4-8(9)6-11/h8-9H,2-6,11H2,1H3,(H,12,13,14)
InChIKeyUYTUJTKKNUWBFS-UHFFFAOYSA-N
XLogP1.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(5-methyl-1H-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 [2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine (CID 61347072) is [2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine is Cc1nc(SC2CCCCC2CN)n[nH]1.
What is the InChIKey of [2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The InChIKey is UYTUJTKKNUWBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-7-12-10(14-13-7)15-9-5-3-2-4-8(9)6-11/h8-9H,2-6,11H2,1H3,(H,12,13,14).
What are the key properties of [2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine has a molecular weight of 226.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 61347072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).