6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one

C16H13N5O — CID 156889018

IUPAC6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one
SMILESCc1cn2nc(-c3ccc4c(=O)[nH]ncc4c3)cc(C)c2n1
InChIInChI=1S/C16H13N5O/c1-9-5-14(20-21-8-10(2)18-15(9)21)11-3-4-13-12(6-11)7-17-19-16(13)22/h3-8H,1-2H3,(H,19,22)
InChIKeyGMMHBYCDBJQEMX-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.25
Rot. Bonds1

About 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one (PubChem CID 156889018) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one
PubChem CID156889018
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one
SMILESCc1cn2nc(-c3ccc4c(=O)[nH]ncc4c3)cc(C)c2n1
InChIInChI=1S/C16H13N5O/c1-9-5-14(20-21-8-10(2)18-15(9)21)11-3-4-13-12(6-11)7-17-19-16(13)22/h3-8H,1-2H3,(H,19,22)
InChIKeyGMMHBYCDBJQEMX-UHFFFAOYSA-N
XLogP2.25
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-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 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one?
The IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one (CID 156889018) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one.
What is the SMILES notation for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one?
The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one is Cc1cn2nc(-c3ccc4c(=O)[nH]ncc4c3)cc(C)c2n1.
What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one?
The InChIKey is GMMHBYCDBJQEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-9-5-14(20-21-8-10(2)18-15(9)21)11-3-4-13-12(6-11)7-17-19-16(13)22/h3-8H,1-2H3,(H,19,22).
What are the key properties of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one?
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one has a molecular weight of 291.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one is sourced from PubChem (CID 156889018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).