3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

C20H22N6O2 — CID 67886590

IUPAC3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-n3cc(CC4CCCO4)nn3)ncn2c2ccccc21
InChIInChI=1S/C20H22N6O2/c1-13(2)26-17-8-4-3-7-16(17)24-12-21-19(18(24)20(26)27)25-11-14(22-23-25)10-15-6-5-9-28-15/h3-4,7-8,11-13,15H,5-6,9-10H2,1-2H3
InChIKeyZYDIPLVTNZEQFA-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.53
Rot. Bonds4

About 3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 67886590) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID67886590
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-n3cc(CC4CCCO4)nn3)ncn2c2ccccc21
InChIInChI=1S/C20H22N6O2/c1-13(2)26-17-8-4-3-7-16(17)24-12-21-19(18(24)20(26)27)25-11-14(22-23-25)10-15-6-5-9-28-15/h3-4,7-8,11-13,15H,5-6,9-10H2,1-2H3
InChIKeyZYDIPLVTNZEQFA-UHFFFAOYSA-N
XLogP2.53
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one with MolForge

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Related Compounds

5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67887298
4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67886126
3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886900
methyl 1-(4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxalin-3-yl)triazole-4-carboxylate
CID 56621939
3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886105
7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67886082
3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886659
4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67887072
3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67887449
3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 56620121
6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67886168
3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one
CID 59332093

Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (CID 67886590) is 3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is CC(C)n1c(=O)c2c(-n3cc(CC4CCCO4)nn3)ncn2c2ccccc21.
What is the InChIKey of 3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is ZYDIPLVTNZEQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-13(2)26-17-8-4-3-7-16(17)24-12-21-19(18(24)20(26)27)25-11-14(22-23-25)10-15-6-5-9-28-15/h3-4,7-8,11-13,15H,5-6,9-10H2,1-2H3.
What are the key properties of 3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 378.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67886590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).