3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one

C15H15N3O — CID 2742833

IUPAC3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(C)c(=O)c2c(C)n1-c1ccccc1
InChIInChI=1S/C15H15N3O/c1-10-13-9-16-17(3)15(19)14(13)11(2)18(10)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyDDFMRQXGSDNYJY-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.34
Rot. Bonds1

About 3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one

3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one (PubChem CID 2742833) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one
PubChem CID2742833
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(C)c(=O)c2c(C)n1-c1ccccc1
InChIInChI=1S/C15H15N3O/c1-10-13-9-16-17(3)15(19)14(13)11(2)18(10)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyDDFMRQXGSDNYJY-UHFFFAOYSA-N
XLogP2.34
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one (CID 2742833) is 3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one is Cc1c2cnn(C)c(=O)c2c(C)n1-c1ccccc1.
What is the InChIKey of 3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is DDFMRQXGSDNYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-13-9-16-17(3)15(19)14(13)11(2)18(10)12-7-5-4-6-8-12/h4-9H,1-3H3.
What are the key properties of 3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one?
3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 253.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 2742833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).