6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione

C16H19N3O2 — CID 10016792

IUPAC6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
SMILESC=C1n2c(=O)n(C)c(=O)n2C(C)C1(C)Cc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11-16(3,10-13-8-6-5-7-9-13)12(2)19-15(21)17(4)14(20)18(11)19/h5-9,12H,1,10H2,2-4H3
InChIKeyODRSBBRNYCUYGB-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.64
Rot. Bonds2

About 6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione

6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione (PubChem CID 10016792) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione.

Molecular Properties

Compound Name6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
PubChem CID10016792
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
SMILESC=C1n2c(=O)n(C)c(=O)n2C(C)C1(C)Cc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11-16(3,10-13-8-6-5-7-9-13)12(2)19-15(21)17(4)14(20)18(11)19/h5-9,12H,1,10H2,2-4H3
InChIKeyODRSBBRNYCUYGB-UHFFFAOYSA-N
XLogP1.64
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The IUPAC name of 6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione (CID 10016792) is 6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione.
What is the SMILES notation for 6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The canonical SMILES for 6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[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-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The InChIKey is ODRSBBRNYCUYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-16(3,10-13-8-6-5-7-9-13)12(2)19-15(21)17(4)14(20)18(11)19/h5-9,12H,1,10H2,2-4H3.
What are the key properties of 6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione has a molecular weight of 285.35 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,6,7-trimethyl-5-methylidene-7H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione is sourced from PubChem (CID 10016792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).