5,7-dimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one

C14H13N3O — CID 2742198

IUPAC5,7-dimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one
SMILESCc1c2cn[nH]c(=O)c2c(C)n1-c1ccccc1
InChIInChI=1S/C14H13N3O/c1-9-12-8-15-16-14(18)13(12)10(2)17(9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,18)
InChIKeyBYHUJWITQRGUOK-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.33
Rot. Bonds1

About 5,7-dimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one

5,7-dimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one (PubChem CID 2742198) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5,7-dimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name5,7-dimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one
PubChem CID2742198
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5,7-dimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one
SMILESCc1c2cn[nH]c(=O)c2c(C)n1-c1ccccc1
InChIInChI=1S/C14H13N3O/c1-9-12-8-15-16-14(18)13(12)10(2)17(9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,18)
InChIKeyBYHUJWITQRGUOK-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-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one?
The IUPAC name of 5,7-dimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one (CID 2742198) is 5,7-dimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one.
What is the SMILES notation for 5,7-dimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one?
The canonical SMILES for 5,7-dimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one is Cc1c2cn[nH]c(=O)c2c(C)n1-c1ccccc1.
What is the InChIKey of 5,7-dimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one?
The InChIKey is BYHUJWITQRGUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-12-8-15-16-14(18)13(12)10(2)17(9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,18).
What are the key properties of 5,7-dimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one?
5,7-dimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-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-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one is sourced from PubChem (CID 2742198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).