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

C20H21N7O2 — CID 67886900

IUPAC3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESNC1(c2cn(-c3ncn4c3c(=O)n(CC3CCCO3)c3ccccc34)nn2)CC1
InChIInChI=1S/C20H21N7O2/c21-20(7-8-20)16-11-27(24-23-16)18-17-19(28)25(10-13-4-3-9-29-13)14-5-1-2-6-15(14)26(17)12-22-18/h1-2,5-6,11-13H,3-4,7-10,21H2
InChIKeyISSWHCVPDSVTTO-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.36
Rot. Bonds4

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

3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67886900) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67886900
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESNC1(c2cn(-c3ncn4c3c(=O)n(CC3CCCO3)c3ccccc34)nn2)CC1
InChIInChI=1S/C20H21N7O2/c21-20(7-8-20)16-11-27(24-23-16)18-17-19(28)25(10-13-4-3-9-29-13)14-5-1-2-6-15(14)26(17)12-22-18/h1-2,5-6,11-13H,3-4,7-10,21H2
InChIKeyISSWHCVPDSVTTO-UHFFFAOYSA-N
XLogP1.36
TPSA105.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886659
5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67887298
3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886105
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
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
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67886082
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (CID 67886900) is 3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is NC1(c2cn(-c3ncn4c3c(=O)n(CC3CCCO3)c3ccccc34)nn2)CC1.
What is the InChIKey of 3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is ISSWHCVPDSVTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c21-20(7-8-20)16-11-27(24-23-16)18-17-19(28)25(10-13-4-3-9-29-13)14-5-1-2-6-15(14)26(17)12-22-18/h1-2,5-6,11-13H,3-4,7-10,21H2.
What are the key properties of 3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 391.44 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67886900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).