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

C12H18N4 — CID 79210499

IUPAC4-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nncn2C2CCCC2)C1
InChIInChI=1S/C12H18N4/c13-10-6-5-9(7-10)12-15-14-8-16(12)11-3-1-2-4-11/h5-6,8-11H,1-4,7,13H2
InChIKeyRBWFWWWCATTZRF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.76
Rot. Bonds2

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

4-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (PubChem CID 79210499) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
PubChem CID79210499
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nncn2C2CCCC2)C1
InChIInChI=1S/C12H18N4/c13-10-6-5-9(7-10)12-15-14-8-16(12)11-3-1-2-4-11/h5-6,8-11H,1-4,7,13H2
InChIKeyRBWFWWWCATTZRF-UHFFFAOYSA-N
XLogP1.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.76
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-cyclopentyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (CID 79210499) is 4-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is NC1C=CC(c2nncn2C2CCCC2)C1.
What is the InChIKey of 4-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The InChIKey is RBWFWWWCATTZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c13-10-6-5-9(7-10)12-15-14-8-16(12)11-3-1-2-4-11/h5-6,8-11H,1-4,7,13H2.
What are the key properties of 4-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
4-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79210499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).