1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine

C9H16N4 — CID 3039955

IUPAC1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
SMILESc1ncn(CCN2CCCCC2)n1
InChIInChI=1S/C9H16N4/c1-2-4-12(5-3-1)6-7-13-9-10-8-11-13/h8-9H,1-7H2
InChIKeyADTVDDSTSYXXPE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.76
Rot. Bonds3

About 1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine

1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine (PubChem CID 3039955) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
PubChem CID3039955
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
SMILESc1ncn(CCN2CCCCC2)n1
InChIInChI=1S/C9H16N4/c1-2-4-12(5-3-1)6-7-13-9-10-8-11-13/h8-9H,1-7H2
InChIKeyADTVDDSTSYXXPE-UHFFFAOYSA-N
XLogP0.76
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The IUPAC name of 1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine (CID 3039955) is 1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The canonical SMILES for 1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine is c1ncn(CCN2CCCCC2)n1.
What is the InChIKey of 1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The InChIKey is ADTVDDSTSYXXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-4-12(5-3-1)6-7-13-9-10-8-11-13/h8-9H,1-7H2.
What are the key properties of 1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine has a molecular weight of 180.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 3039955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).