3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine

C12H22N4 — CID 61362176

IUPAC3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nnc(C)n1C1CCCC1
InChIInChI=1S/C12H22N4/c1-10-14-15-12(8-5-9-13-2)16(10)11-6-3-4-7-11/h11,13H,3-9H2,1-2H3
InChIKeyUINZZGSKIURBMO-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.85
Rot. Bonds5

About 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine

3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine (PubChem CID 61362176) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
PubChem CID61362176
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nnc(C)n1C1CCCC1
InChIInChI=1S/C12H22N4/c1-10-14-15-12(8-5-9-13-2)16(10)11-6-3-4-7-11/h11,13H,3-9H2,1-2H3
InChIKeyUINZZGSKIURBMO-UHFFFAOYSA-N
XLogP1.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine (CID 61362176) is 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine is CNCCCc1nnc(C)n1C1CCCC1.
What is the InChIKey of 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine?
The InChIKey is UINZZGSKIURBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-14-15-12(8-5-9-13-2)16(10)11-6-3-4-7-11/h11,13H,3-9H2,1-2H3.
What are the key properties of 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine?
3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 61362176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).