N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide

C11H11ClN4O — CID 169465667

IUPACN-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnc2ccc(Cl)nn12
InChIInChI=1S/C11H11ClN4O/c1-8(17)13-6-2-3-9-7-14-11-5-4-10(12)15-16(9)11/h2-5,7H,6H2,1H3,(H,13,17)
InChIKeyBTVZFYVIFYJFIO-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.53
Rot. Bonds3

About N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide

N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide (PubChem CID 169465667) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide
PubChem CID169465667
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC NameN-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnc2ccc(Cl)nn12
InChIInChI=1S/C11H11ClN4O/c1-8(17)13-6-2-3-9-7-14-11-5-4-10(12)15-16(9)11/h2-5,7H,6H2,1H3,(H,13,17)
InChIKeyBTVZFYVIFYJFIO-UHFFFAOYSA-N
XLogP1.53
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide (CID 169465667) is N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cnc2ccc(Cl)nn12.
What is the InChIKey of N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide?
The InChIKey is BTVZFYVIFYJFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-8(17)13-6-2-3-9-7-14-11-5-4-10(12)15-16(9)11/h2-5,7H,6H2,1H3,(H,13,17).
What are the key properties of N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide?
N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide has a molecular weight of 250.69 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).