6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione

C12H10N4O3 — CID 101011150

IUPAC6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione
SMILESCOc1cccc(-n2[nH]c(=O)c3ccnn3c2=O)c1
InChIInChI=1S/C12H10N4O3/c1-19-9-4-2-3-8(7-9)15-12(18)16-10(5-6-13-16)11(17)14-15/h2-7H,1H3,(H,14,17)
InChIKeyWQXKCIDAVREPHL-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.18
Rot. Bonds2

About 6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione

6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione (PubChem CID 101011150) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione
PubChem CID101011150
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione
SMILESCOc1cccc(-n2[nH]c(=O)c3ccnn3c2=O)c1
InChIInChI=1S/C12H10N4O3/c1-19-9-4-2-3-8(7-9)15-12(18)16-10(5-6-13-16)11(17)14-15/h2-7H,1H3,(H,14,17)
InChIKeyWQXKCIDAVREPHL-UHFFFAOYSA-N
XLogP0.18
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one
CID 54414073
ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
CID 143937149
3-[3-hydroxy-2-(3-methoxyphenyl)-5-oxo-1H-pyrazol-4-yl]propanoic acid
CID 117123164
2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one
CID 54063244
2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 66920137
2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
CID 134508221
5-bromo-1-(3-methoxyphenyl)pyrazole
CID 112693887
5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one
CID 114798023
6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
CID 164548836
3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
CID 135431486
5-ethyl-2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-4-carboxylic acid
CID 117123980
4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione
CID 4791207

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione?
The IUPAC name of 6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione (CID 101011150) is 6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione.
What is the SMILES notation for 6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione?
The canonical SMILES for 6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione is COc1cccc(-n2[nH]c(=O)c3ccnn3c2=O)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione?
The InChIKey is WQXKCIDAVREPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c1-19-9-4-2-3-8(7-9)15-12(18)16-10(5-6-13-16)11(17)14-15/h2-7H,1H3,(H,14,17).
What are the key properties of 6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione?
6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione has a molecular weight of 258.24 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione is sourced from PubChem (CID 101011150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).