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

C12H22N4 — CID 79809644

IUPAC3-(4-cyclopentyl-1,2,4-triazol-3-yl)pentan-3-amine
SMILESCCC(N)(CC)c1nncn1C1CCCC1
InChIInChI=1S/C12H22N4/c1-3-12(13,4-2)11-15-14-9-16(11)10-7-5-6-8-10/h9-10H,3-8,13H2,1-2H3
InChIKeyGCCZJOUEJARROT-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.37
Rot. Bonds4

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

3-(4-cyclopentyl-1,2,4-triazol-3-yl)pentan-3-amine (PubChem CID 79809644) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-(4-cyclopentyl-1,2,4-triazol-3-yl)pentan-3-amine.

Molecular Properties

Compound Name3-(4-cyclopentyl-1,2,4-triazol-3-yl)pentan-3-amine
PubChem CID79809644
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-(4-cyclopentyl-1,2,4-triazol-3-yl)pentan-3-amine
SMILESCCC(N)(CC)c1nncn1C1CCCC1
InChIInChI=1S/C12H22N4/c1-3-12(13,4-2)11-15-14-9-16(11)10-7-5-6-8-10/h9-10H,3-8,13H2,1-2H3
InChIKeyGCCZJOUEJARROT-UHFFFAOYSA-N
XLogP2.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)pentan-3-amine?
The IUPAC name of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)pentan-3-amine (CID 79809644) is 3-(4-cyclopentyl-1,2,4-triazol-3-yl)pentan-3-amine.
What is the SMILES notation for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)pentan-3-amine?
The canonical SMILES for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)pentan-3-amine is CCC(N)(CC)c1nncn1C1CCCC1.
What is the InChIKey of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)pentan-3-amine?
The InChIKey is GCCZJOUEJARROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-12(13,4-2)11-15-14-9-16(11)10-7-5-6-8-10/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)pentan-3-amine?
3-(4-cyclopentyl-1,2,4-triazol-3-yl)pentan-3-amine has a molecular weight of 222.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)pentan-3-amine is sourced from PubChem (CID 79809644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).