4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine

C13H20N4 — CID 79211060

IUPAC4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nc(C3CCCCC3)n[nH]2)C1
InChIInChI=1S/C13H20N4/c14-11-7-6-10(8-11)13-15-12(16-17-13)9-4-2-1-3-5-9/h6-7,9-11H,1-5,8,14H2,(H,15,16,17)
InChIKeyKEHKSKQCUCHMJT-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.22
Rot. Bonds2

About 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine

4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine (PubChem CID 79211060) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine
PubChem CID79211060
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nc(C3CCCCC3)n[nH]2)C1
InChIInChI=1S/C13H20N4/c14-11-7-6-10(8-11)13-15-12(16-17-13)9-4-2-1-3-5-9/h6-7,9-11H,1-5,8,14H2,(H,15,16,17)
InChIKeyKEHKSKQCUCHMJT-UHFFFAOYSA-N
XLogP2.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-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 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine (CID 79211060) is 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine is NC1C=CC(c2nc(C3CCCCC3)n[nH]2)C1.
What is the InChIKey of 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine?
The InChIKey is KEHKSKQCUCHMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-11-7-6-10(8-11)13-15-12(16-17-13)9-4-2-1-3-5-9/h6-7,9-11H,1-5,8,14H2,(H,15,16,17).
What are the key properties of 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine?
4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79211060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).