5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one

C14H13N3O — CID 135515097

IUPAC5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one
SMILESCc1[nH]c(C)c2c(=O)n(-c3ccccc3)ncc12
InChIInChI=1S/C14H13N3O/c1-9-12-8-15-17(11-6-4-3-5-7-11)14(18)13(12)10(2)16-9/h3-8,16H,1-2H3
InChIKeyFRFFFZFKWKXRNP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.33
Rot. Bonds1

About 5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one

5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one (PubChem CID 135515097) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one
PubChem CID135515097
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one
SMILESCc1[nH]c(C)c2c(=O)n(-c3ccccc3)ncc12
InChIInChI=1S/C14H13N3O/c1-9-12-8-15-17(11-6-4-3-5-7-11)14(18)13(12)10(2)16-9/h3-8,16H,1-2H3
InChIKeyFRFFFZFKWKXRNP-UHFFFAOYSA-N
XLogP2.33
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one (CID 135515097) is 5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one is Cc1[nH]c(C)c2c(=O)n(-c3ccccc3)ncc12.
What is the InChIKey of 5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is FRFFFZFKWKXRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-12-8-15-17(11-6-4-3-5-7-11)14(18)13(12)10(2)16-9/h3-8,16H,1-2H3.
What are the key properties of 5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 239.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-phenyl-6H-pyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 135515097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).