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

C10H16N4 — CID 79210903

IUPAC4-(5-propyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCCCc1nc(C2C=CC(N)C2)n[nH]1
InChIInChI=1S/C10H16N4/c1-2-3-9-12-10(14-13-9)7-4-5-8(11)6-7/h4-5,7-8H,2-3,6,11H2,1H3,(H,12,13,14)
InChIKeyZJKWJIKEOFIAOB-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.13
Rot. Bonds3

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

4-(5-propyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (PubChem CID 79210903) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 4-(5-propyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(5-propyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
PubChem CID79210903
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name4-(5-propyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCCCc1nc(C2C=CC(N)C2)n[nH]1
InChIInChI=1S/C10H16N4/c1-2-3-9-12-10(14-13-9)7-4-5-8(11)6-7/h4-5,7-8H,2-3,6,11H2,1H3,(H,12,13,14)
InChIKeyZJKWJIKEOFIAOB-UHFFFAOYSA-N
XLogP1.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.13
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-propyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(5-propyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (CID 79210903) is 4-(5-propyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(5-propyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(5-propyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is CCCc1nc(C2C=CC(N)C2)n[nH]1.
What is the InChIKey of 4-(5-propyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The InChIKey is ZJKWJIKEOFIAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-2-3-9-12-10(14-13-9)7-4-5-8(11)6-7/h4-5,7-8H,2-3,6,11H2,1H3,(H,12,13,14).
What are the key properties of 4-(5-propyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
4-(5-propyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine has a molecular weight of 192.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propyl-1H-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79210903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).