3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide

C15H11ClN4O — CID 129153442

IUPAC3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESC=CNC(=O)c1nc2cccnn2c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN4O/c1-2-17-15(21)13-14(10-5-7-11(16)8-6-10)20-12(19-13)4-3-9-18-20/h2-9H,1H2,(H,17,21)
InChIKeyYNRPKOIYMDUPSQ-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.92
Rot. Bonds3

About 3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide

3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 129153442) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID129153442
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESC=CNC(=O)c1nc2cccnn2c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN4O/c1-2-17-15(21)13-14(10-5-7-11(16)8-6-10)20-12(19-13)4-3-9-18-20/h2-9H,1H2,(H,17,21)
InChIKeyYNRPKOIYMDUPSQ-UHFFFAOYSA-N
XLogP2.92
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide (CID 129153442) is 3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide is C=CNC(=O)c1nc2cccnn2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is YNRPKOIYMDUPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c1-2-17-15(21)13-14(10-5-7-11(16)8-6-10)20-12(19-13)4-3-9-18-20/h2-9H,1H2,(H,17,21).
What are the key properties of 3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide?
3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 129153442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).