4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one

C11H8N4O — CID 135461603

IUPAC4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one
SMILESO=c1[nH]nc(-c2ccccc2)c2nc[nH]c12
InChIInChI=1S/C11H8N4O/c16-11-10-9(12-6-13-10)8(14-15-11)7-4-2-1-3-5-7/h1-6H,(H,12,13)(H,15,16)
InChIKeyXPFWONHBZAZAQW-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.31
Rot. Bonds1

About 4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one

4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one (PubChem CID 135461603) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one
PubChem CID135461603
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one
SMILESO=c1[nH]nc(-c2ccccc2)c2nc[nH]c12
InChIInChI=1S/C11H8N4O/c16-11-10-9(12-6-13-10)8(14-15-11)7-4-2-1-3-5-7/h1-6H,(H,12,13)(H,15,16)
InChIKeyXPFWONHBZAZAQW-UHFFFAOYSA-N
XLogP1.31
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16658116
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CID 16658820
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CID 16658821
CID 16658821
CID 16658822
CID 16658822
CID 256646
CID 256646
CID 741303
CID 741303
CID 135435090
CID 135435090
CID 73056708
CID 73056708
CID 250702
CID 250702
CID 15741991
CID 15741991
CID 76900443
CID 76900443

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one?
The IUPAC name of 4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one (CID 135461603) is 4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one?
The canonical SMILES for 4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one is O=c1[nH]nc(-c2ccccc2)c2nc[nH]c12.
What is the InChIKey of 4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one?
The InChIKey is XPFWONHBZAZAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-11-10-9(12-6-13-10)8(14-15-11)7-4-2-1-3-5-7/h1-6H,(H,12,13)(H,15,16).
What are the key properties of 4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one?
4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one has a molecular weight of 212.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 135461603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).