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

C8H14N4 — CID 76582366

IUPAC1-methyl-4-(1,2,4-triazol-1-yl)piperidine
SMILESCN1CCC(n2cncn2)CC1
InChIInChI=1S/C8H14N4/c1-11-4-2-8(3-5-11)12-7-9-6-10-12/h6-8H,2-5H2,1H3
InChIKeyQYMGYNPVSRMEGZ-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.54
Rot. Bonds1

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

1-methyl-4-(1,2,4-triazol-1-yl)piperidine (PubChem CID 76582366) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-methyl-4-(1,2,4-triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(1,2,4-triazol-1-yl)piperidine
PubChem CID76582366
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-methyl-4-(1,2,4-triazol-1-yl)piperidine
SMILESCN1CCC(n2cncn2)CC1
InChIInChI=1S/C8H14N4/c1-11-4-2-8(3-5-11)12-7-9-6-10-12/h6-8H,2-5H2,1H3
InChIKeyQYMGYNPVSRMEGZ-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,2,4-triazol-1-yl)piperidine?
The IUPAC name of 1-methyl-4-(1,2,4-triazol-1-yl)piperidine (CID 76582366) is 1-methyl-4-(1,2,4-triazol-1-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(1,2,4-triazol-1-yl)piperidine?
The canonical SMILES for 1-methyl-4-(1,2,4-triazol-1-yl)piperidine is CN1CCC(n2cncn2)CC1.
What is the InChIKey of 1-methyl-4-(1,2,4-triazol-1-yl)piperidine?
The InChIKey is QYMGYNPVSRMEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-11-4-2-8(3-5-11)12-7-9-6-10-12/h6-8H,2-5H2,1H3.
What are the key properties of 1-methyl-4-(1,2,4-triazol-1-yl)piperidine?
1-methyl-4-(1,2,4-triazol-1-yl)piperidine has a molecular weight of 166.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,2,4-triazol-1-yl)piperidine is sourced from PubChem (CID 76582366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).