4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride

C10H17ClN4 — CID 47003210

IUPAC4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride
SMILESC1CC(c2nc(C3CC3)n[nH]2)CCN1.Cl
InChIInChI=1S/C10H16N4.ClH/c1-2-7(1)9-12-10(14-13-9)8-3-5-11-6-4-8;/h7-8,11H,1-6H2,(H,12,13,14);1H
InChIKeyHYHBYSLPMRQLTO-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.57
Rot. Bonds2

About 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride (PubChem CID 47003210) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride
PubChem CID47003210
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride
SMILESC1CC(c2nc(C3CC3)n[nH]2)CCN1.Cl
InChIInChI=1S/C10H16N4.ClH/c1-2-7(1)9-12-10(14-13-9)8-3-5-11-6-4-8;/h7-8,11H,1-6H2,(H,12,13,14);1H
InChIKeyHYHBYSLPMRQLTO-UHFFFAOYSA-N
XLogP1.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride 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-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride?
The IUPAC name of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride (CID 47003210) is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride.
What is the SMILES notation for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride?
The canonical SMILES for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride is C1CC(c2nc(C3CC3)n[nH]2)CCN1.Cl.
What is the InChIKey of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride?
The InChIKey is HYHBYSLPMRQLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.ClH/c1-2-7(1)9-12-10(14-13-9)8-3-5-11-6-4-8;/h7-8,11H,1-6H2,(H,12,13,14);1H.
What are the key properties of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride?
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride has a molecular weight of 228.73 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine;hydrochloride is sourced from PubChem (CID 47003210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).