6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione

C22H21N3O2 — CID 10689822

IUPAC6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione
SMILESC=C1n2c(=O)n(C)c(=O)n2C(=C)C1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21N3O2/c1-16-22(14-18-10-6-4-7-11-18,15-19-12-8-5-9-13-19)17(2)25-21(27)23(3)20(26)24(16)25/h4-13H,1-2,14-15H2,3H3
InChIKeyGFIDIBRMPGIJRV-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.78
Rot. Bonds4

About 6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione

6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione (PubChem CID 10689822) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione.

Molecular Properties

Compound Name6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione
PubChem CID10689822
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione
SMILESC=C1n2c(=O)n(C)c(=O)n2C(=C)C1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21N3O2/c1-16-22(14-18-10-6-4-7-11-18,15-19-12-8-5-9-13-19)17(2)25-21(27)23(3)20(26)24(16)25/h4-13H,1-2,14-15H2,3H3
InChIKeyGFIDIBRMPGIJRV-UHFFFAOYSA-N
XLogP2.78
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The IUPAC name of 6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione (CID 10689822) is 6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione.
What is the SMILES notation for 6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The canonical SMILES for 6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione is C=C1n2c(=O)n(C)c(=O)n2C(=C)C1(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The InChIKey is GFIDIBRMPGIJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-22(14-18-10-6-4-7-11-18,15-19-12-8-5-9-13-19)17(2)25-21(27)23(3)20(26)24(16)25/h4-13H,1-2,14-15H2,3H3.
What are the key properties of 6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione has a molecular weight of 359.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione is sourced from PubChem (CID 10689822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).