N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide

C19H14N4O — CID 66940922

IUPACN,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C19H14N4O/c24-19(21-15-9-5-2-6-10-15)17-13-20-18-12-11-16(22-23(17)18)14-7-3-1-4-8-14/h1-13H,(H,21,24)
InChIKeyDMTSJYFRWFLFNQ-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.65
Rot. Bonds3

About N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide

N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 66940922) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID66940922
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC NameN,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C19H14N4O/c24-19(21-15-9-5-2-6-10-15)17-13-20-18-12-11-16(22-23(17)18)14-7-3-1-4-8-14/h1-13H,(H,21,24)
InChIKeyDMTSJYFRWFLFNQ-UHFFFAOYSA-N
XLogP3.65
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide (CID 66940922) is N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide is O=C(Nc1ccccc1)c1cnc2ccc(-c3ccccc3)nn12.
What is the InChIKey of N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is DMTSJYFRWFLFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c24-19(21-15-9-5-2-6-10-15)17-13-20-18-12-11-16(22-23(17)18)14-7-3-1-4-8-14/h1-13H,(H,21,24).
What are the key properties of N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide?
N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 66940922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).