2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine

C10H18N4 — CID 61336582

IUPAC2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCCCc1nc(C2CCCCN2)n[nH]1
InChIInChI=1S/C10H18N4/c1-2-5-9-12-10(14-13-9)8-6-3-4-7-11-8/h8,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyREEUAQPQSMNCNQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.57
Rot. Bonds3

About 2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine

2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 61336582) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID61336582
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCCCc1nc(C2CCCCN2)n[nH]1
InChIInChI=1S/C10H18N4/c1-2-5-9-12-10(14-13-9)8-6-3-4-7-11-8/h8,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyREEUAQPQSMNCNQ-UHFFFAOYSA-N
XLogP1.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-propyl-1H-1,2,4-triazol-3-yl)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 2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine (CID 61336582) is 2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine is CCCc1nc(C2CCCCN2)n[nH]1.
What is the InChIKey of 2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is REEUAQPQSMNCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-5-9-12-10(14-13-9)8-6-3-4-7-11-8/h8,11H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine?
2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 194.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 61336582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).