methyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate

C17H16N6O3 — CID 56621939

IUPACmethyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ncn3c2c(=O)n(C(C)C)c2ccccc23)nn1
InChIInChI=1S/C17H16N6O3/c1-10(2)23-13-7-5-4-6-12(13)21-9-18-15(14(21)16(23)24)22-8-11(19-20-22)17(25)26-3/h4-10H,1-3H3
InChIKeyXZOYFXWQWXRMQN-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.60
Rot. Bonds3

About methyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate

methyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate (PubChem CID 56621939) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is methyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate
PubChem CID56621939
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC Namemethyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ncn3c2c(=O)n(C(C)C)c2ccccc23)nn1
InChIInChI=1S/C17H16N6O3/c1-10(2)23-13-7-5-4-6-12(13)21-9-18-15(14(21)16(23)24)22-8-11(19-20-22)17(25)26-3/h4-10H,1-3H3
InChIKeyXZOYFXWQWXRMQN-UHFFFAOYSA-N
XLogP1.60
TPSA96.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate?
The IUPAC name of methyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate (CID 56621939) is methyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate.
What is the SMILES notation for methyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate?
The canonical SMILES for methyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate is COC(=O)c1cn(-c2ncn3c2c(=O)n(C(C)C)c2ccccc23)nn1.
What is the InChIKey of methyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate?
The InChIKey is XZOYFXWQWXRMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c1-10(2)23-13-7-5-4-6-12(13)21-9-18-15(14(21)16(23)24)22-8-11(19-20-22)17(25)26-3/h4-10H,1-3H3.
What are the key properties of methyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate?
methyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate has a molecular weight of 352.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate is sourced from PubChem (CID 56621939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).