1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone

C18H15N5O — CID 22431375

IUPAC1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc3ccc(C)cc3n3cnnc23)cc1
InChIInChI=1S/C18H15N5O/c1-11-3-8-15-16(9-11)23-10-19-22-18(23)17(21-15)20-14-6-4-13(5-7-14)12(2)24/h3-10H,1-2H3,(H,20,21)
InChIKeyMJHOMCFOHBOWMX-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.53
Rot. Bonds3

About 1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone

1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone (PubChem CID 22431375) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone
PubChem CID22431375
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc3ccc(C)cc3n3cnnc23)cc1
InChIInChI=1S/C18H15N5O/c1-11-3-8-15-16(9-11)23-10-19-22-18(23)17(21-15)20-14-6-4-13(5-7-14)12(2)24/h3-10H,1-2H3,(H,20,21)
InChIKeyMJHOMCFOHBOWMX-UHFFFAOYSA-N
XLogP3.53
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone (CID 22431375) is 1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nc3ccc(C)cc3n3cnnc23)cc1.
What is the InChIKey of 1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone?
The InChIKey is MJHOMCFOHBOWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-11-3-8-15-16(9-11)23-10-19-22-18(23)17(21-15)20-14-6-4-13(5-7-14)12(2)24/h3-10H,1-2H3,(H,20,21).
What are the key properties of 1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone?
1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone has a molecular weight of 317.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 22431375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).