4,5-dichloro-2-pentanoylpyridazin-3-one

C9H10Cl2N2O2 — CID 3025881

IUPAC4,5-dichloro-2-pentanoylpyridazin-3-one
SMILESCCCCC(=O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H10Cl2N2O2/c1-2-3-4-7(14)13-9(15)8(11)6(10)5-12-13/h5H,2-4H2,1H3
InChIKeyIRTYFKFEHWLYEZ-UHFFFAOYSA-N
MW249.10 g/mol
LogP2.38
Rot. Bonds3

About 4,5-dichloro-2-pentanoylpyridazin-3-one

4,5-dichloro-2-pentanoylpyridazin-3-one (PubChem CID 3025881) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 4,5-dichloro-2-pentanoylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-pentanoylpyridazin-3-one
PubChem CID3025881
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name4,5-dichloro-2-pentanoylpyridazin-3-one
SMILESCCCCC(=O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H10Cl2N2O2/c1-2-3-4-7(14)13-9(15)8(11)6(10)5-12-13/h5H,2-4H2,1H3
InChIKeyIRTYFKFEHWLYEZ-UHFFFAOYSA-N
XLogP2.38
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-pentanoylpyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-pentanoylpyridazin-3-one (CID 3025881) is 4,5-dichloro-2-pentanoylpyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-pentanoylpyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-pentanoylpyridazin-3-one is CCCCC(=O)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-pentanoylpyridazin-3-one?
The InChIKey is IRTYFKFEHWLYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c1-2-3-4-7(14)13-9(15)8(11)6(10)5-12-13/h5H,2-4H2,1H3.
What are the key properties of 4,5-dichloro-2-pentanoylpyridazin-3-one?
4,5-dichloro-2-pentanoylpyridazin-3-one has a molecular weight of 249.10 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-pentanoylpyridazin-3-one is sourced from PubChem (CID 3025881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).