7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one

C18H14N4O — CID 14042738

IUPAC7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one
SMILESO=C1NC(c2ccccc2)N(c2ccccc2)c2nnccc21
InChIInChI=1S/C18H14N4O/c23-18-15-11-12-19-21-17(15)22(14-9-5-2-6-10-14)16(20-18)13-7-3-1-4-8-13/h1-12,16H,(H,20,23)
InChIKeyUZDWJBZLZFXQEA-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.06
Rot. Bonds2

About 7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one

7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one (PubChem CID 14042738) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one.

Molecular Properties

Compound Name7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one
PubChem CID14042738
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one
SMILESO=C1NC(c2ccccc2)N(c2ccccc2)c2nnccc21
InChIInChI=1S/C18H14N4O/c23-18-15-11-12-19-21-17(15)22(14-9-5-2-6-10-14)16(20-18)13-7-3-1-4-8-13/h1-12,16H,(H,20,23)
InChIKeyUZDWJBZLZFXQEA-UHFFFAOYSA-N
XLogP3.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one?
The IUPAC name of 7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one (CID 14042738) is 7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one.
What is the SMILES notation for 7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one?
The canonical SMILES for 7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one is O=C1NC(c2ccccc2)N(c2ccccc2)c2nnccc21.
What is the InChIKey of 7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one?
The InChIKey is UZDWJBZLZFXQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-18-15-11-12-19-21-17(15)22(14-9-5-2-6-10-14)16(20-18)13-7-3-1-4-8-13/h1-12,16H,(H,20,23).
What are the key properties of 7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one?
7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one has a molecular weight of 302.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one is sourced from PubChem (CID 14042738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).