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

C9H16N4 — CID 53192491

IUPAC4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCCc1nc(C2CCNCC2)n[nH]1
InChIInChI=1S/C9H16N4/c1-2-8-11-9(13-12-8)7-3-5-10-6-4-7/h7,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyUQXGXVADESAMLD-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.83
Rot. Bonds2

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

4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192491) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID53192491
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCCc1nc(C2CCNCC2)n[nH]1
InChIInChI=1S/C9H16N4/c1-2-8-11-9(13-12-8)7-3-5-10-6-4-7/h7,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyUQXGXVADESAMLD-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine (CID 53192491) is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine is CCc1nc(C2CCNCC2)n[nH]1.
What is the InChIKey of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is UQXGXVADESAMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-8-11-9(13-12-8)7-3-5-10-6-4-7/h7,10H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine?
4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 180.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).