3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine

C13H24N4 — CID 61338736

IUPAC3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C13H24N4/c1-10(2)14-9-5-8-12-15-13(17-16-12)11-6-3-4-7-11/h10-11,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyHKLDSMLYFUQXCJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.39
Rot. Bonds6

About 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine

3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 61338736) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine
PubChem CID61338736
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C13H24N4/c1-10(2)14-9-5-8-12-15-13(17-16-12)11-6-3-4-7-11/h10-11,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyHKLDSMLYFUQXCJ-UHFFFAOYSA-N
XLogP2.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine (CID 61338736) is 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1nc(C2CCCC2)n[nH]1.
What is the InChIKey of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is HKLDSMLYFUQXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(2)14-9-5-8-12-15-13(17-16-12)11-6-3-4-7-11/h10-11,14H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine?
3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 61338736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).