3-(1,2,4-triazol-1-ylmethyl)piperidine

C8H14N4 — CID 50988264

IUPAC3-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESc1ncn(CC2CCCNC2)n1
InChIInChI=1S/C8H14N4/c1-2-8(4-9-3-1)5-12-7-10-6-11-12/h6-9H,1-5H2
InChIKeyOIJPPRAITGSIRG-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.28
Rot. Bonds2

About 3-(1,2,4-triazol-1-ylmethyl)piperidine

3-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 50988264) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID50988264
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESc1ncn(CC2CCCNC2)n1
InChIInChI=1S/C8H14N4/c1-2-8(4-9-3-1)5-12-7-10-6-11-12/h6-9H,1-5H2
InChIKeyOIJPPRAITGSIRG-UHFFFAOYSA-N
XLogP0.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 3-(1,2,4-triazol-1-ylmethyl)piperidine (CID 50988264) is 3-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 3-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 3-(1,2,4-triazol-1-ylmethyl)piperidine is c1ncn(CC2CCCNC2)n1.
What is the InChIKey of 3-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is OIJPPRAITGSIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-8(4-9-3-1)5-12-7-10-6-11-12/h6-9H,1-5H2.
What are the key properties of 3-(1,2,4-triazol-1-ylmethyl)piperidine?
3-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 166.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 50988264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).