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

C8H14N4 — CID 14221649

IUPAC1-(2-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1ncnc1N1CCCCC1
InChIInChI=1S/C8H14N4/c1-11-8(9-7-10-11)12-5-3-2-4-6-12/h7H,2-6H2,1H3
InChIKeyJTLHEHRFYMUUFT-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.81
Rot. Bonds1

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

1-(2-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 14221649) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-(2-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(2-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID14221649
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-(2-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1ncnc1N1CCCCC1
InChIInChI=1S/C8H14N4/c1-11-8(9-7-10-11)12-5-3-2-4-6-12/h7H,2-6H2,1H3
InChIKeyJTLHEHRFYMUUFT-UHFFFAOYSA-N
XLogP0.81
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)piperidine (CID 14221649) is 1-(2-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(2-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(2-methyl-1,2,4-triazol-3-yl)piperidine is Cn1ncnc1N1CCCCC1.
What is the InChIKey of 1-(2-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is JTLHEHRFYMUUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-11-8(9-7-10-11)12-5-3-2-4-6-12/h7H,2-6H2,1H3.
What are the key properties of 1-(2-methyl-1,2,4-triazol-3-yl)piperidine?
1-(2-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 166.23 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 14221649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).