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

C8H14N4 — CID 54592631

IUPAC2-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESc1ncn(CC2CCCCN2)n1
InChIInChI=1S/C8H14N4/c1-2-4-10-8(3-1)5-12-7-9-6-11-12/h6-8,10H,1-5H2
InChIKeyRYHAXZZMCHTQKU-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.42
Rot. Bonds2

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

2-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 54592631) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID54592631
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESc1ncn(CC2CCCCN2)n1
InChIInChI=1S/C8H14N4/c1-2-4-10-8(3-1)5-12-7-9-6-11-12/h6-8,10H,1-5H2
InChIKeyRYHAXZZMCHTQKU-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 2-(1,2,4-triazol-1-ylmethyl)piperidine (CID 54592631) is 2-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 2-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 2-(1,2,4-triazol-1-ylmethyl)piperidine is c1ncn(CC2CCCCN2)n1.
What is the InChIKey of 2-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is RYHAXZZMCHTQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-4-10-8(3-1)5-12-7-9-6-11-12/h6-8,10H,1-5H2.
What are the key properties of 2-(1,2,4-triazol-1-ylmethyl)piperidine?
2-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 166.23 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 54592631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).