N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide

C9H9Cl2N3O2 — CID 2585183

IUPACN-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NC1CC1
InChIInChI=1S/C9H9Cl2N3O2/c10-6-3-12-14(9(16)8(6)11)4-7(15)13-5-1-2-5/h3,5H,1-2,4H2,(H,13,15)
InChIKeyXVGWFUMXIVAJKW-UHFFFAOYSA-N
MW262.10 g/mol
LogP0.83
Rot. Bonds3

About N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide

N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (PubChem CID 2585183) has the molecular formula C9H9Cl2N3O2 and a molecular weight of 262.10 g/mol. Its IUPAC name is N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
PubChem CID2585183
Molecular FormulaC9H9Cl2N3O2
Molecular Weight262.10 g/mol
Exact Mass261.01
IUPAC NameN-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NC1CC1
InChIInChI=1S/C9H9Cl2N3O2/c10-6-3-12-14(9(16)8(6)11)4-7(15)13-5-1-2-5/h3,5H,1-2,4H2,(H,13,15)
InChIKeyXVGWFUMXIVAJKW-UHFFFAOYSA-N
XLogP0.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (CID 2585183) is N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The InChIKey is XVGWFUMXIVAJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O2/c10-6-3-12-14(9(16)8(6)11)4-7(15)13-5-1-2-5/h3,5H,1-2,4H2,(H,13,15).
What are the key properties of N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide has a molecular weight of 262.10 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 2585183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).