4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one

C9H12N4O2 — CID 14910655

IUPAC4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one
SMILESCOc1nn(C)c(=O)c2nn(C)c(C)c12
InChIInChI=1S/C9H12N4O2/c1-5-6-7(10-12(5)2)9(14)13(3)11-8(6)15-4/h1-4H3
InChIKeyFELBUCSCYIJDGZ-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.02
Rot. Bonds1

About 4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one

4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one (PubChem CID 14910655) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one
PubChem CID14910655
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one
SMILESCOc1nn(C)c(=O)c2nn(C)c(C)c12
InChIInChI=1S/C9H12N4O2/c1-5-6-7(10-12(5)2)9(14)13(3)11-8(6)15-4/h1-4H3
InChIKeyFELBUCSCYIJDGZ-UHFFFAOYSA-N
XLogP-0.02
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-3-methoxy-1,5-dimethylpyrazole
CID 146379732
5,6-dimethoxy-2-methylpyridazin-3-one
CID 10607232
4-methoxy-2,6-dimethylpyridazin-3-one
CID 139521587
methyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate
CID 170985573
1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline
CID 73387956
6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride
CID 82444501
7-methoxy-2,3-dimethylindazole-6-carboxylic acid
CID 117110319
2,3,4-trimethylindazole-7-carboxylic acid
CID 117110311
1,1-difluoroethane;4-(2-ethyl-4-hydroxyphenyl)-5-hydroperoxy-6-methoxy-2-methylpyridazin-3-one
CID 144677375
4-bromo-3-methoxy-1-methylpyrazole-5-carboxylic acid
CID 83867120
6-fluoro-3-methoxy-1,5-dimethylpyrazolo[4,3-b]pyridine
CID 178139826
4-methoxy-2,3-dimethylindazole-5-carbaldehyde
CID 117110344

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one (CID 14910655) is 4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one is COc1nn(C)c(=O)c2nn(C)c(C)c12.
What is the InChIKey of 4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is FELBUCSCYIJDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-5-6-7(10-12(5)2)9(14)13(3)11-8(6)15-4/h1-4H3.
What are the key properties of 4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one?
4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 208.22 g/mol, XLogP of -0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,6-trimethylpyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 14910655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).