3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide

C14H12N4O — CID 59443501

IUPAC3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cnn3ccnc3c2)c1
InChIInChI=1S/C14H12N4O/c1-15-14(19)11-4-2-3-10(7-11)12-8-13-16-5-6-18(13)17-9-12/h2-9H,1H3,(H,15,19)
InChIKeyKDZIIHNFLXZTGT-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.76
Rot. Bonds2

About 3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide

3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide (PubChem CID 59443501) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide.

Molecular Properties

Compound Name3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide
PubChem CID59443501
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cnn3ccnc3c2)c1
InChIInChI=1S/C14H12N4O/c1-15-14(19)11-4-2-3-10(7-11)12-8-13-16-5-6-18(13)17-9-12/h2-9H,1H3,(H,15,19)
InChIKeyKDZIIHNFLXZTGT-UHFFFAOYSA-N
XLogP1.76
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide?
The IUPAC name of 3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide (CID 59443501) is 3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide.
What is the SMILES notation for 3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide?
The canonical SMILES for 3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide is CNC(=O)c1cccc(-c2cnn3ccnc3c2)c1.
What is the InChIKey of 3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide?
The InChIKey is KDZIIHNFLXZTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-15-14(19)11-4-2-3-10(7-11)12-8-13-16-5-6-18(13)17-9-12/h2-9H,1H3,(H,15,19).
What are the key properties of 3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide?
3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide has a molecular weight of 252.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide is sourced from PubChem (CID 59443501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).