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

C16H16N4O — CID 118706491

IUPACN-benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCc3ccccc3)n2n1
InChIInChI=1S/C16H16N4O/c1-11-8-9-14-18-12(2)15(20(14)19-11)16(21)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyNCNVLTJMPMNTFJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.28
Rot. Bonds3

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

N-benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 118706491) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID118706491
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCc3ccccc3)n2n1
InChIInChI=1S/C16H16N4O/c1-11-8-9-14-18-12(2)15(20(14)19-11)16(21)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyNCNVLTJMPMNTFJ-UHFFFAOYSA-N
XLogP2.28
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide (CID 118706491) is N-benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NCc3ccccc3)n2n1.
What is the InChIKey of N-benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is NCNVLTJMPMNTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-8-9-14-18-12(2)15(20(14)19-11)16(21)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,21).
What are the key properties of N-benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide?
N-benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 118706491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).