5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine

C9H5BrN4 — CID 138112391

IUPAC5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
SMILESBrc1cc2nncn2c2ncccc12
InChIInChI=1S/C9H5BrN4/c10-7-4-8-13-12-5-14(8)9-6(7)2-1-3-11-9/h1-5H
InChIKeyJGVSVLACPOWEDE-UHFFFAOYSA-N
MW249.07 g/mol
LogP2.04
Rot. Bonds

About 5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine

5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine (PubChem CID 138112391) has the molecular formula C9H5BrN4 and a molecular weight of 249.07 g/mol. Its IUPAC name is 5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine.

Molecular Properties

Compound Name5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
PubChem CID138112391
Molecular FormulaC9H5BrN4
Molecular Weight249.07 g/mol
Exact Mass247.97
IUPAC Name5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
SMILESBrc1cc2nncn2c2ncccc12
InChIInChI=1S/C9H5BrN4/c10-7-4-8-13-12-5-14(8)9-6(7)2-1-3-11-9/h1-5H
InChIKeyJGVSVLACPOWEDE-UHFFFAOYSA-N
XLogP2.04
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
The IUPAC name of 5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine (CID 138112391) is 5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine.
What is the SMILES notation for 5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
The canonical SMILES for 5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine is Brc1cc2nncn2c2ncccc12.
What is the InChIKey of 5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
The InChIKey is JGVSVLACPOWEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN4/c10-7-4-8-13-12-5-14(8)9-6(7)2-1-3-11-9/h1-5H.
What are the key properties of 5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine has a molecular weight of 249.07 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine is sourced from PubChem (CID 138112391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).