4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine

C10H14N4 — CID 79210341

IUPAC4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nncn2C2CC2)C1
InChIInChI=1S/C10H14N4/c11-8-2-1-7(5-8)10-13-12-6-14(10)9-3-4-9/h1-2,6-9H,3-5,11H2
InChIKeyQWIJYYMZOQXBOD-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.98
Rot. Bonds2

About 4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine

4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (PubChem CID 79210341) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
PubChem CID79210341
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nncn2C2CC2)C1
InChIInChI=1S/C10H14N4/c11-8-2-1-7(5-8)10-13-12-6-14(10)9-3-4-9/h1-2,6-9H,3-5,11H2
InChIKeyQWIJYYMZOQXBOD-UHFFFAOYSA-N
XLogP0.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (CID 79210341) is 4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is NC1C=CC(c2nncn2C2CC2)C1.
What is the InChIKey of 4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The InChIKey is QWIJYYMZOQXBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c11-8-2-1-7(5-8)10-13-12-6-14(10)9-3-4-9/h1-2,6-9H,3-5,11H2.
What are the key properties of 4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine has a molecular weight of 190.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79210341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).