4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one

C12H10N4O — CID 28811486

IUPAC4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCc1n[nH]c(=O)c2nn(-c3ccccc3)cc12
InChIInChI=1S/C12H10N4O/c1-8-10-7-16(9-5-3-2-4-6-9)15-11(10)12(17)14-13-8/h2-7H,1H3,(H,14,17)
InChIKeyJQYGCCGKWAIWQO-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.42
Rot. Bonds1

About 4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one

4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one (PubChem CID 28811486) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
PubChem CID28811486
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCc1n[nH]c(=O)c2nn(-c3ccccc3)cc12
InChIInChI=1S/C12H10N4O/c1-8-10-7-16(9-5-3-2-4-6-9)15-11(10)12(17)14-13-8/h2-7H,1H3,(H,14,17)
InChIKeyJQYGCCGKWAIWQO-UHFFFAOYSA-N
XLogP1.42
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one (CID 28811486) is 4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one is Cc1n[nH]c(=O)c2nn(-c3ccccc3)cc12.
What is the InChIKey of 4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is JQYGCCGKWAIWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-10-7-16(9-5-3-2-4-6-9)15-11(10)12(17)14-13-8/h2-7H,1H3,(H,14,17).
What are the key properties of 4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 226.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 28811486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).