4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one

C16H11N5O — CID 14581294

IUPAC4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one
SMILESO=c1[nH]nc(-c2ccc(-n3ccnc3)cc2)c2cnccc12
InChIInChI=1S/C16H11N5O/c22-16-13-5-6-17-9-14(13)15(19-20-16)11-1-3-12(4-2-11)21-8-7-18-10-21/h1-10H,(H,20,22)
InChIKeyOJRIYAPLAINQDM-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.17
Rot. Bonds2

About 4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one

4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one (PubChem CID 14581294) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one
PubChem CID14581294
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Name4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one
SMILESO=c1[nH]nc(-c2ccc(-n3ccnc3)cc2)c2cnccc12
InChIInChI=1S/C16H11N5O/c22-16-13-5-6-17-9-14(13)15(19-20-16)11-1-3-12(4-2-11)21-8-7-18-10-21/h1-10H,(H,20,22)
InChIKeyOJRIYAPLAINQDM-UHFFFAOYSA-N
XLogP2.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one?
The IUPAC name of 4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one (CID 14581294) is 4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one.
What is the SMILES notation for 4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one?
The canonical SMILES for 4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one is O=c1[nH]nc(-c2ccc(-n3ccnc3)cc2)c2cnccc12.
What is the InChIKey of 4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one?
The InChIKey is OJRIYAPLAINQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c22-16-13-5-6-17-9-14(13)15(19-20-16)11-1-3-12(4-2-11)21-8-7-18-10-21/h1-10H,(H,20,22).
What are the key properties of 4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one?
4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one has a molecular weight of 289.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylphenyl)-2H-pyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 14581294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).