6-bromo-8-(triazol-1-ylmethyl)quinoline

C12H9BrN4 — CID 91661151

IUPAC6-bromo-8-(triazol-1-ylmethyl)quinoline
SMILESBrc1cc(Cn2ccnn2)c2ncccc2c1
InChIInChI=1S/C12H9BrN4/c13-11-6-9-2-1-3-14-12(9)10(7-11)8-17-5-4-15-16-17/h1-7H,8H2
InChIKeyOXAWEFUFQTYXRZ-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.64
Rot. Bonds2

About 6-bromo-8-(triazol-1-ylmethyl)quinoline

6-bromo-8-(triazol-1-ylmethyl)quinoline (PubChem CID 91661151) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 6-bromo-8-(triazol-1-ylmethyl)quinoline.

Molecular Properties

Compound Name6-bromo-8-(triazol-1-ylmethyl)quinoline
PubChem CID91661151
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name6-bromo-8-(triazol-1-ylmethyl)quinoline
SMILESBrc1cc(Cn2ccnn2)c2ncccc2c1
InChIInChI=1S/C12H9BrN4/c13-11-6-9-2-1-3-14-12(9)10(7-11)8-17-5-4-15-16-17/h1-7H,8H2
InChIKeyOXAWEFUFQTYXRZ-UHFFFAOYSA-N
XLogP2.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(triazol-1-ylmethyl)quinoline?
The IUPAC name of 6-bromo-8-(triazol-1-ylmethyl)quinoline (CID 91661151) is 6-bromo-8-(triazol-1-ylmethyl)quinoline.
What is the SMILES notation for 6-bromo-8-(triazol-1-ylmethyl)quinoline?
The canonical SMILES for 6-bromo-8-(triazol-1-ylmethyl)quinoline is Brc1cc(Cn2ccnn2)c2ncccc2c1.
What is the InChIKey of 6-bromo-8-(triazol-1-ylmethyl)quinoline?
The InChIKey is OXAWEFUFQTYXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-11-6-9-2-1-3-14-12(9)10(7-11)8-17-5-4-15-16-17/h1-7H,8H2.
What are the key properties of 6-bromo-8-(triazol-1-ylmethyl)quinoline?
6-bromo-8-(triazol-1-ylmethyl)quinoline has a molecular weight of 289.14 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(triazol-1-ylmethyl)quinoline is sourced from PubChem (CID 91661151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).