2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione

C16H12N4O3 — CID 177452003

IUPAC2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILES[11CH3]Oc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1
InChIInChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)20-16(22)19-13-5-3-2-4-12(13)17-15(21)14(19)18-20/h2-9H,1H3,(H,17,21)/i1-1
InChIKeyMGIDLYMCJUPDJL-BJUDXGSMSA-N
MW307.30 g/mol
LogP1.34
Rot. Bonds2

About 2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione

2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (PubChem CID 177452003) has the molecular formula C16H12N4O3 and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.

Molecular Properties

Compound Name2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
PubChem CID177452003
Molecular FormulaC16H12N4O3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Name2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILES[11CH3]Oc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1
InChIInChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)20-16(22)19-13-5-3-2-4-12(13)17-15(21)14(19)18-20/h2-9H,1H3,(H,17,21)/i1-1
InChIKeyMGIDLYMCJUPDJL-BJUDXGSMSA-N
XLogP1.34
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione with MolForge

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Related Compounds

N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide
CID 11533636
2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one
CID 3079200
2-(4-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135405767
4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 20565458
4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one
CID 101148539
ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione
CID 156863175
1-(4-methoxyphenyl)-4-methyltetrazol-5-one
CID 139194376
6-(4-methoxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135426480
2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one
CID 136863153
3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
CID 82369496
5-(aminomethyl)-2-(4-methoxyphenyl)-4H-1,2,4-triazol-3-one
CID 136999549
2-(4-methoxyphenyl)-4-[6-[1-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]hexyl]-1,2,4-triazol-3-one
CID 155809416

Frequently Asked Questions

What is the IUPAC name of 2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The IUPAC name of 2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (CID 177452003) is 2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.
What is the SMILES notation for 2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The canonical SMILES for 2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is [11CH3]Oc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1.
What is the InChIKey of 2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The InChIKey is MGIDLYMCJUPDJL-BJUDXGSMSA-N. The full InChI is InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)20-16(22)19-13-5-3-2-4-12(13)17-15(21)14(19)18-20/h2-9H,1H3,(H,17,21)/i1-1.
What are the key properties of 2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione has a molecular weight of 307.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is sourced from PubChem (CID 177452003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).