N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide

C16H16N4O — CID 10707880

IUPACN-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide
SMILESCC(=O)NCc1c(-c2ccccc2)nc2ccc(C)nn12
InChIInChI=1S/C16H16N4O/c1-11-8-9-15-18-16(13-6-4-3-5-7-13)14(20(15)19-11)10-17-12(2)21/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyOFFMYIWELVTXTR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.34
Rot. Bonds3

About N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide

N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide (PubChem CID 10707880) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide
PubChem CID10707880
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide
SMILESCC(=O)NCc1c(-c2ccccc2)nc2ccc(C)nn12
InChIInChI=1S/C16H16N4O/c1-11-8-9-15-18-16(13-6-4-3-5-7-13)14(20(15)19-11)10-17-12(2)21/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyOFFMYIWELVTXTR-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide?
The IUPAC name of N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide (CID 10707880) is N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide is CC(=O)NCc1c(-c2ccccc2)nc2ccc(C)nn12.
What is the InChIKey of N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide?
The InChIKey is OFFMYIWELVTXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-8-9-15-18-16(13-6-4-3-5-7-13)14(20(15)19-11)10-17-12(2)21/h3-9H,10H2,1-2H3,(H,17,21).
What are the key properties of N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide?
N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide is sourced from PubChem (CID 10707880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).