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

C9H14N4 — CID 79210817

IUPAC4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCCc1nc(C2C=CC(N)C2)n[nH]1
InChIInChI=1S/C9H14N4/c1-2-8-11-9(13-12-8)6-3-4-7(10)5-6/h3-4,6-7H,2,5,10H2,1H3,(H,11,12,13)
InChIKeyQHEZSSXEFFJUPQ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.74
Rot. Bonds2

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

4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (PubChem CID 79210817) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
PubChem CID79210817
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCCc1nc(C2C=CC(N)C2)n[nH]1
InChIInChI=1S/C9H14N4/c1-2-8-11-9(13-12-8)6-3-4-7(10)5-6/h3-4,6-7H,2,5,10H2,1H3,(H,11,12,13)
InChIKeyQHEZSSXEFFJUPQ-UHFFFAOYSA-N
XLogP0.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (CID 79210817) is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is CCc1nc(C2C=CC(N)C2)n[nH]1.
What is the InChIKey of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The InChIKey is QHEZSSXEFFJUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-8-11-9(13-12-8)6-3-4-7(10)5-6/h3-4,6-7H,2,5,10H2,1H3,(H,11,12,13).
What are the key properties of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine has a molecular weight of 178.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79210817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).