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

C8H12N4 — CID 79210736

IUPAC4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCc1nc(C2C=CC(N)C2)n[nH]1
InChIInChI=1S/C8H12N4/c1-5-10-8(12-11-5)6-2-3-7(9)4-6/h2-3,6-7H,4,9H2,1H3,(H,10,11,12)
InChIKeyOTEUBCRZVYRWPE-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.48
Rot. Bonds1

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

4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (PubChem CID 79210736) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
PubChem CID79210736
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCc1nc(C2C=CC(N)C2)n[nH]1
InChIInChI=1S/C8H12N4/c1-5-10-8(12-11-5)6-2-3-7(9)4-6/h2-3,6-7H,4,9H2,1H3,(H,10,11,12)
InChIKeyOTEUBCRZVYRWPE-UHFFFAOYSA-N
XLogP0.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(5-methyl-1H-1,2,4-triazol-3-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-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (CID 79210736) is 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is Cc1nc(C2C=CC(N)C2)n[nH]1.
What is the InChIKey of 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The InChIKey is OTEUBCRZVYRWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-5-10-8(12-11-5)6-2-3-7(9)4-6/h2-3,6-7H,4,9H2,1H3,(H,10,11,12).
What are the key properties of 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine has a molecular weight of 164.21 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79210736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).