8-(2H-triazol-4-yl)-1H-quinolin-4-one

C11H8N4O — CID 67815890

IUPAC8-(2H-triazol-4-yl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c(-c3cn[nH]n3)cccc12
InChIInChI=1S/C11H8N4O/c16-10-4-5-12-11-7(2-1-3-8(10)11)9-6-13-15-14-9/h1-6H,(H,12,16)(H,13,14,15)
InChIKeyARIGCHWYIXDSIY-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.31
Rot. Bonds1

About 8-(2H-triazol-4-yl)-1H-quinolin-4-one

8-(2H-triazol-4-yl)-1H-quinolin-4-one (PubChem CID 67815890) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 8-(2H-triazol-4-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-(2H-triazol-4-yl)-1H-quinolin-4-one
PubChem CID67815890
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name8-(2H-triazol-4-yl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c(-c3cn[nH]n3)cccc12
InChIInChI=1S/C11H8N4O/c16-10-4-5-12-11-7(2-1-3-8(10)11)9-6-13-15-14-9/h1-6H,(H,12,16)(H,13,14,15)
InChIKeyARIGCHWYIXDSIY-UHFFFAOYSA-N
XLogP1.31
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2H-triazol-4-yl)-1H-quinolin-4-one?
The IUPAC name of 8-(2H-triazol-4-yl)-1H-quinolin-4-one (CID 67815890) is 8-(2H-triazol-4-yl)-1H-quinolin-4-one.
What is the SMILES notation for 8-(2H-triazol-4-yl)-1H-quinolin-4-one?
The canonical SMILES for 8-(2H-triazol-4-yl)-1H-quinolin-4-one is O=c1cc[nH]c2c(-c3cn[nH]n3)cccc12.
What is the InChIKey of 8-(2H-triazol-4-yl)-1H-quinolin-4-one?
The InChIKey is ARIGCHWYIXDSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-10-4-5-12-11-7(2-1-3-8(10)11)9-6-13-15-14-9/h1-6H,(H,12,16)(H,13,14,15).
What are the key properties of 8-(2H-triazol-4-yl)-1H-quinolin-4-one?
8-(2H-triazol-4-yl)-1H-quinolin-4-one has a molecular weight of 212.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2H-triazol-4-yl)-1H-quinolin-4-one is sourced from PubChem (CID 67815890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).