2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine

C9H16N4 — CID 5247903

IUPAC2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCCc1nc(C2CCCCN2)n[nH]1
InChIInChI=1S/C9H16N4/c1-2-8-11-9(13-12-8)7-5-3-4-6-10-7/h7,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyUOYZLOGYAFPRCY-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.18
Rot. Bonds2

About 2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine

2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 5247903) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID5247903
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCCc1nc(C2CCCCN2)n[nH]1
InChIInChI=1S/C9H16N4/c1-2-8-11-9(13-12-8)7-5-3-4-6-10-7/h7,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyUOYZLOGYAFPRCY-UHFFFAOYSA-N
XLogP1.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine (CID 5247903) is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine is CCc1nc(C2CCCCN2)n[nH]1.
What is the InChIKey of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is UOYZLOGYAFPRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-8-11-9(13-12-8)7-5-3-4-6-10-7/h7,10H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine?
2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 180.25 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 5247903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).