5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one

C18H11FN4O — CID 134996827

IUPAC5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one
SMILESO=c1[nH]nc(-c2ccc(F)cc2)c2cnc(-c3ccccc3)nc12
InChIInChI=1S/C18H11FN4O/c19-13-8-6-11(7-9-13)15-14-10-20-17(12-4-2-1-3-5-12)21-16(14)18(24)23-22-15/h1-10H,(H,23,24)
InChIKeyHVDSWFQBRPXRTK-UHFFFAOYSA-N
MW318.31 g/mol
LogP3.19
Rot. Bonds2

About 5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one

5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one (PubChem CID 134996827) has the molecular formula C18H11FN4O and a molecular weight of 318.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one
PubChem CID134996827
Molecular FormulaC18H11FN4O
Molecular Weight318.31 g/mol
Exact Mass318.09
IUPAC Name5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one
SMILESO=c1[nH]nc(-c2ccc(F)cc2)c2cnc(-c3ccccc3)nc12
InChIInChI=1S/C18H11FN4O/c19-13-8-6-11(7-9-13)15-14-10-20-17(12-4-2-1-3-5-12)21-16(14)18(24)23-22-15/h1-10H,(H,23,24)
InChIKeyHVDSWFQBRPXRTK-UHFFFAOYSA-N
XLogP3.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one?
The IUPAC name of 5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one (CID 134996827) is 5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one is O=c1[nH]nc(-c2ccc(F)cc2)c2cnc(-c3ccccc3)nc12.
What is the InChIKey of 5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one?
The InChIKey is HVDSWFQBRPXRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O/c19-13-8-6-11(7-9-13)15-14-10-20-17(12-4-2-1-3-5-12)21-16(14)18(24)23-22-15/h1-10H,(H,23,24).
What are the key properties of 5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one?
5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one has a molecular weight of 318.31 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-phenyl-7H-pyrimido[4,5-d]pyridazin-8-one is sourced from PubChem (CID 134996827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).