3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

C22H24N6O2 — CID 67886105

IUPAC3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC1CC1c1cn(-c2ncn3c2c(=O)n(CC2CCCCO2)c2ccccc23)nn1
InChIInChI=1S/C22H24N6O2/c1-14-10-16(14)17-12-28(25-24-17)21-20-22(29)26(11-15-6-4-5-9-30-15)18-7-2-3-8-19(18)27(20)13-23-21/h2-3,7-8,12-16H,4-6,9-11H2,1H3
InChIKeyNVZOJZKGOOLOSS-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.92
Rot. Bonds4

About 3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67886105) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67886105
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC1CC1c1cn(-c2ncn3c2c(=O)n(CC2CCCCO2)c2ccccc23)nn1
InChIInChI=1S/C22H24N6O2/c1-14-10-16(14)17-12-28(25-24-17)21-20-22(29)26(11-15-6-4-5-9-30-15)18-7-2-3-8-19(18)27(20)13-23-21/h2-3,7-8,12-16H,4-6,9-11H2,1H3
InChIKeyNVZOJZKGOOLOSS-UHFFFAOYSA-N
XLogP2.92
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[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
3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886659
3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886900
3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67886590
4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67886126
3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67889479
4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67887072
3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one
CID 97196072
3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one
CID 94181113
3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one
CID 67886911
6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887304
7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67886082

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (CID 67886105) is 3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is CC1CC1c1cn(-c2ncn3c2c(=O)n(CC2CCCCO2)c2ccccc23)nn1.
What is the InChIKey of 3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is NVZOJZKGOOLOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14-10-16(14)17-12-28(25-24-17)21-20-22(29)26(11-15-6-4-5-9-30-15)18-7-2-3-8-19(18)27(20)13-23-21/h2-3,7-8,12-16H,4-6,9-11H2,1H3.
What are the key properties of 3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 404.47 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67886105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).