4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine

C12H22N4 — CID 79605795

IUPAC4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCCCn1c(C)nnc1CC1CCNCC1
InChIInChI=1S/C12H22N4/c1-3-8-16-10(2)14-15-12(16)9-11-4-6-13-7-5-11/h11,13H,3-9H2,1-2H3
InChIKeySDCCOHXLUQYALI-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.54
Rot. Bonds4

About 4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine

4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 79605795) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID79605795
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCCCn1c(C)nnc1CC1CCNCC1
InChIInChI=1S/C12H22N4/c1-3-8-16-10(2)14-15-12(16)9-11-4-6-13-7-5-11/h11,13H,3-9H2,1-2H3
InChIKeySDCCOHXLUQYALI-UHFFFAOYSA-N
XLogP1.54
TPSA42.74 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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 79605795) is 4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine is CCCn1c(C)nnc1CC1CCNCC1.
What is the InChIKey of 4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is SDCCOHXLUQYALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-8-16-10(2)14-15-12(16)9-11-4-6-13-7-5-11/h11,13H,3-9H2,1-2H3.
What are the key properties of 4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 222.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 79605795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).