phenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone

C16H10N4O — CID 46946084

IUPACphenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone
SMILESO=C(c1ccccc1)c1nc2ccccc2n2cnnc12
InChIInChI=1S/C16H10N4O/c21-15(11-6-2-1-3-7-11)14-16-19-17-10-20(16)13-9-5-4-8-12(13)18-14/h1-10H
InChIKeyHNOUZFKINZLJHW-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.51
Rot. Bonds2

About phenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone

phenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone (PubChem CID 46946084) has the molecular formula C16H10N4O and a molecular weight of 274.28 g/mol. Its IUPAC name is phenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone.

Molecular Properties

Compound Namephenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone
PubChem CID46946084
Molecular FormulaC16H10N4O
Molecular Weight274.28 g/mol
Exact Mass274.09
IUPAC Namephenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone
SMILESO=C(c1ccccc1)c1nc2ccccc2n2cnnc12
InChIInChI=1S/C16H10N4O/c21-15(11-6-2-1-3-7-11)14-16-19-17-10-20(16)13-9-5-4-8-12(13)18-14/h1-10H
InChIKeyHNOUZFKINZLJHW-UHFFFAOYSA-N
XLogP2.51
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone?
The IUPAC name of phenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone (CID 46946084) is phenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone.
What is the SMILES notation for phenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone?
The canonical SMILES for phenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone is O=C(c1ccccc1)c1nc2ccccc2n2cnnc12.
What is the InChIKey of phenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone?
The InChIKey is HNOUZFKINZLJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O/c21-15(11-6-2-1-3-7-11)14-16-19-17-10-20(16)13-9-5-4-8-12(13)18-14/h1-10H.
What are the key properties of phenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone?
phenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone has a molecular weight of 274.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone is sourced from PubChem (CID 46946084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).