2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

C23H24N4O4 — CID 91908443

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCc1ccc(C)c(CN2CCn3c(nn(CC4COc5ccccc5O4)c3=O)C2=O)c1
InChIInChI=1S/C23H24N4O4/c1-15-7-8-16(2)17(11-15)12-25-9-10-26-21(22(25)28)24-27(23(26)29)13-18-14-30-19-5-3-4-6-20(19)31-18/h3-8,11,18H,9-10,12-14H2,1-2H3
InChIKeyUYBVXHILYGYYPZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.16
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (PubChem CID 91908443) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
PubChem CID91908443
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCc1ccc(C)c(CN2CCn3c(nn(CC4COc5ccccc5O4)c3=O)C2=O)c1
InChIInChI=1S/C23H24N4O4/c1-15-7-8-16(2)17(11-15)12-25-9-10-26-21(22(25)28)24-27(23(26)29)13-18-14-30-19-5-3-4-6-20(19)31-18/h3-8,11,18H,9-10,12-14H2,1-2H3
InChIKeyUYBVXHILYGYYPZ-UHFFFAOYSA-N
XLogP2.16
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione with MolForge

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Related Compounds

2-[7-[(2,5-dimethylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 166604036
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylimidazolidine-2,4,5-trione
CID 9375612
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]isoindole-1,3-dione
CID 6933956
5,6-dichloro-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]isoindole-1,3-dione
CID 40598633
(2,5-dimethylphenyl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2614679
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
CID 13253821
N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
CID 73168362
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
CID 45229995
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 8571347
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,4-trimethylbenzamide
CID 51144829
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-4-yl]-N-methylacetamide
CID 121418596

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (CID 91908443) is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is Cc1ccc(C)c(CN2CCn3c(nn(CC4COc5ccccc5O4)c3=O)C2=O)c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The InChIKey is UYBVXHILYGYYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15-7-8-16(2)17(11-15)12-25-9-10-26-21(22(25)28)24-27(23(26)29)13-18-14-30-19-5-3-4-6-20(19)31-18/h3-8,11,18H,9-10,12-14H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione has a molecular weight of 420.47 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is sourced from PubChem (CID 91908443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).