6-benzyl-2,6-dimethyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione

C16H17N3O2 — CID 10636709

IUPAC6-benzyl-2,6-dimethyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione
SMILESC=C1n2c(=O)n(C)c(=O)n2C(=C)C1(C)Cc1ccccc1
InChIInChI=1S/C16H17N3O2/c1-11-16(3,10-13-8-6-5-7-9-13)12(2)19-15(21)17(4)14(20)18(11)19/h5-9H,1-2,10H2,3-4H3
InChIKeyIZJLMWLHZXTGCO-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.55
Rot. Bonds2

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

6-benzyl-2,6-dimethyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione (PubChem CID 10636709) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-benzyl-2,6-dimethyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione.

Molecular Properties

Compound Name6-benzyl-2,6-dimethyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione
PubChem CID10636709
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-benzyl-2,6-dimethyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione
SMILESC=C1n2c(=O)n(C)c(=O)n2C(=C)C1(C)Cc1ccccc1
InChIInChI=1S/C16H17N3O2/c1-11-16(3,10-13-8-6-5-7-9-13)12(2)19-15(21)17(4)14(20)18(11)19/h5-9H,1-2,10H2,3-4H3
InChIKeyIZJLMWLHZXTGCO-UHFFFAOYSA-N
XLogP1.55
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-Methyl-10-(1-phenyl-ethylidene)-2,4,6-triaza-tricyclo[5.2.1.0(2,6)]decane-3,5-dione
CID 598078
6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
CID 10016792
(1R,7S)-4,10,10-trimethyl-1,7-diphenyl-2,4,6,8,9-pentazatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 9975846
(1R,7S)-10-benzyl-1,4,7,10-tetramethyl-2,4,6,8,9-pentazatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 10041268
(1R,7S)-10,10-dibenzyl-1,4,7-trimethyl-2,4,6,8,9-pentazatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 10362906
6,6-Dibenzyl-2-methyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione
CID 10689822
6,6-dibenzyl-2,7-dimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
CID 10832436
4-Methyl-10-(1,2,3-triphenylcycloprop-2-en-1-yl)-2,4,6-triazatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 90487274
(1S,7R)-4-methyl-10-(1,2,3-triphenylcycloprop-2-en-1-yl)-2,4,6-triazatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 94037304
(1S,7S)-4-methyl-10-(1,2,3-triphenylcycloprop-2-en-1-yl)-2,4,6-triazatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98163958
(1R,7R)-4-methyl-10-(1,2,3-triphenylcycloprop-2-en-1-yl)-2,4,6-triazatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98163959
6-Benzyl-5,7-dimethoxy-2,5,6,7-tetramethylpyrazolo[1,2-a][1,2,4]triazole-1,3-dione
CID 101986883

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,6-dimethyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The IUPAC name of 6-benzyl-2,6-dimethyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione (CID 10636709) is 6-benzyl-2,6-dimethyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione.
What is the SMILES notation for 6-benzyl-2,6-dimethyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The canonical SMILES for 6-benzyl-2,6-dimethyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione is C=C1n2c(=O)n(C)c(=O)n2C(=C)C1(C)Cc1ccccc1.
What is the InChIKey of 6-benzyl-2,6-dimethyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The InChIKey is IZJLMWLHZXTGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-16(3,10-13-8-6-5-7-9-13)12(2)19-15(21)17(4)14(20)18(11)19/h5-9H,1-2,10H2,3-4H3.
What are the key properties of 6-benzyl-2,6-dimethyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
6-benzyl-2,6-dimethyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione has a molecular weight of 283.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,6-dimethyl-5,7-dimethylidenepyrazolo[1,2-a][1,2,4]triazole-1,3-dione is sourced from PubChem (CID 10636709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).