2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride

C8H15ClN4 — CID 156593528

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride
SMILESCl.Cn1cnnc1C1CCCCN1
InChIInChI=1S/C8H14N4.ClH/c1-12-6-10-11-8(12)7-4-2-3-5-9-7;/h6-7,9H,2-5H2,1H3;1H
InChIKeyOZDCFYDHEGRWDT-UHFFFAOYSA-N
MW202.69 g/mol
LogP1.05
Rot. Bonds1

About 2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride

2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride (PubChem CID 156593528) has the molecular formula C8H15ClN4 and a molecular weight of 202.69 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride
PubChem CID156593528
Molecular FormulaC8H15ClN4
Molecular Weight202.69 g/mol
Exact Mass202.10
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride
SMILESCl.Cn1cnnc1C1CCCCN1
InChIInChI=1S/C8H14N4.ClH/c1-12-6-10-11-8(12)7-4-2-3-5-9-7;/h6-7,9H,2-5H2,1H3;1H
InChIKeyOZDCFYDHEGRWDT-UHFFFAOYSA-N
XLogP1.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride (CID 156593528) is 2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride is Cl.Cn1cnnc1C1CCCCN1.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
The InChIKey is OZDCFYDHEGRWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.ClH/c1-12-6-10-11-8(12)7-4-2-3-5-9-7;/h6-7,9H,2-5H2,1H3;1H.
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride has a molecular weight of 202.69 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride is sourced from PubChem (CID 156593528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).