1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine

C9H14Br2N4 — CID 71863463

IUPAC1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine
SMILESBrc1nc(Br)n(CCN2CCCCC2)n1
InChIInChI=1S/C9H14Br2N4/c10-8-12-9(11)15(13-8)7-6-14-4-2-1-3-5-14/h1-7H2
InChIKeyGRJLPEBFSYIDLF-UHFFFAOYSA-N
MW338.05 g/mol
LogP2.29
Rot. Bonds3

About 1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine

1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine (PubChem CID 71863463) has the molecular formula C9H14Br2N4 and a molecular weight of 338.05 g/mol. Its IUPAC name is 1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine
PubChem CID71863463
Molecular FormulaC9H14Br2N4
Molecular Weight338.05 g/mol
Exact Mass335.96
IUPAC Name1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine
SMILESBrc1nc(Br)n(CCN2CCCCC2)n1
InChIInChI=1S/C9H14Br2N4/c10-8-12-9(11)15(13-8)7-6-14-4-2-1-3-5-14/h1-7H2
InChIKeyGRJLPEBFSYIDLF-UHFFFAOYSA-N
XLogP2.29
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.05
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine?
The IUPAC name of 1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine (CID 71863463) is 1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine?
The canonical SMILES for 1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine is Brc1nc(Br)n(CCN2CCCCC2)n1.
What is the InChIKey of 1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine?
The InChIKey is GRJLPEBFSYIDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Br2N4/c10-8-12-9(11)15(13-8)7-6-14-4-2-1-3-5-14/h1-7H2.
What are the key properties of 1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine?
1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine has a molecular weight of 338.05 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dibromo-1,2,4-triazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 71863463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).