N-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide

C14H11ClN4O — CID 155799171

IUPACN-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide
SMILESCc1cn2nc(C(=O)Nc3ccccc3Cl)ccc2n1
InChIInChI=1S/C14H11ClN4O/c1-9-8-19-13(16-9)7-6-12(18-19)14(20)17-11-5-3-2-4-10(11)15/h2-8H,1H3,(H,17,20)
InChIKeyAOQNYFUBZHKORQ-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.94
Rot. Bonds2

About N-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide

N-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide (PubChem CID 155799171) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide
PubChem CID155799171
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC NameN-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide
SMILESCc1cn2nc(C(=O)Nc3ccccc3Cl)ccc2n1
InChIInChI=1S/C14H11ClN4O/c1-9-8-19-13(16-9)7-6-12(18-19)14(20)17-11-5-3-2-4-10(11)15/h2-8H,1H3,(H,17,20)
InChIKeyAOQNYFUBZHKORQ-UHFFFAOYSA-N
XLogP2.94
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide (CID 155799171) is N-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide is Cc1cn2nc(C(=O)Nc3ccccc3Cl)ccc2n1.
What is the InChIKey of N-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide?
The InChIKey is AOQNYFUBZHKORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-9-8-19-13(16-9)7-6-12(18-19)14(20)17-11-5-3-2-4-10(11)15/h2-8H,1H3,(H,17,20).
What are the key properties of N-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide?
N-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide is sourced from PubChem (CID 155799171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).