4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride

C8H16Cl2N4 — CID 47002730

IUPAC4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride
SMILESCc1nc(C2CCNCC2)n[nH]1.Cl.Cl
InChIInChI=1S/C8H14N4.2ClH/c1-6-10-8(12-11-6)7-2-4-9-5-3-7;;/h7,9H,2-5H2,1H3,(H,10,11,12);2*1H
InChIKeyNRKZSTHLHDSZLM-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.42
Rot. Bonds1

About 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride

4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride (PubChem CID 47002730) has the molecular formula C8H16Cl2N4 and a molecular weight of 239.15 g/mol. Its IUPAC name is 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride
PubChem CID47002730
Molecular FormulaC8H16Cl2N4
Molecular Weight239.15 g/mol
Exact Mass238.08
IUPAC Name4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride
SMILESCc1nc(C2CCNCC2)n[nH]1.Cl.Cl
InChIInChI=1S/C8H14N4.2ClH/c1-6-10-8(12-11-6)7-2-4-9-5-3-7;;/h7,9H,2-5H2,1H3,(H,10,11,12);2*1H
InChIKeyNRKZSTHLHDSZLM-UHFFFAOYSA-N
XLogP1.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride 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-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
The IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride (CID 47002730) is 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride.
What is the SMILES notation for 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
The canonical SMILES for 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride is Cc1nc(C2CCNCC2)n[nH]1.Cl.Cl.
What is the InChIKey of 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
The InChIKey is NRKZSTHLHDSZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.2ClH/c1-6-10-8(12-11-6)7-2-4-9-5-3-7;;/h7,9H,2-5H2,1H3,(H,10,11,12);2*1H.
What are the key properties of 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride is sourced from PubChem (CID 47002730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).