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

C13H20N4 — CID 79211298

IUPAC4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCc1nnc(C2C=CC(N)C2)n1C1CCCC1
InChIInChI=1S/C13H20N4/c1-9-15-16-13(10-6-7-11(14)8-10)17(9)12-4-2-3-5-12/h6-7,10-12H,2-5,8,14H2,1H3
InChIKeyHYKGFONSOZIISY-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.07
Rot. Bonds2

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

4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (PubChem CID 79211298) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
PubChem CID79211298
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCc1nnc(C2C=CC(N)C2)n1C1CCCC1
InChIInChI=1S/C13H20N4/c1-9-15-16-13(10-6-7-11(14)8-10)17(9)12-4-2-3-5-12/h6-7,10-12H,2-5,8,14H2,1H3
InChIKeyHYKGFONSOZIISY-UHFFFAOYSA-N
XLogP2.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.07
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-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (CID 79211298) is 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is Cc1nnc(C2C=CC(N)C2)n1C1CCCC1.
What is the InChIKey of 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The InChIKey is HYKGFONSOZIISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9-15-16-13(10-6-7-11(14)8-10)17(9)12-4-2-3-5-12/h6-7,10-12H,2-5,8,14H2,1H3.
What are the key properties of 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79211298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).