4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C16H13N5O2 — CID 10709852

IUPAC4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESCOc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)
InChIKeyHAYWSASVPZFTKJ-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.62
Rot. Bonds2

About 4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 10709852) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID10709852
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESCOc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)
InChIKeyHAYWSASVPZFTKJ-UHFFFAOYSA-N
XLogP1.62
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 10709852) is 4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is COc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1.
What is the InChIKey of 4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is HAYWSASVPZFTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18).
What are the key properties of 4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 307.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 10709852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).