2-(6-chloropyridazin-3-yl)phthalazin-1-one

C12H7ClN4O — CID 6401144

IUPAC2-(6-chloropyridazin-3-yl)phthalazin-1-one
SMILESO=c1c2ccccc2cnn1-c1ccc(Cl)nn1
InChIInChI=1S/C12H7ClN4O/c13-10-5-6-11(16-15-10)17-12(18)9-4-2-1-3-8(9)7-14-17/h1-7H
InChIKeySBCPTGUFVCCGOM-UHFFFAOYSA-N
MW258.67 g/mol
LogP1.83
Rot. Bonds1

About 2-(6-chloropyridazin-3-yl)phthalazin-1-one

2-(6-chloropyridazin-3-yl)phthalazin-1-one (PubChem CID 6401144) has the molecular formula C12H7ClN4O and a molecular weight of 258.67 g/mol. Its IUPAC name is 2-(6-chloropyridazin-3-yl)phthalazin-1-one.

Molecular Properties

Compound Name2-(6-chloropyridazin-3-yl)phthalazin-1-one
PubChem CID6401144
Molecular FormulaC12H7ClN4O
Molecular Weight258.67 g/mol
Exact Mass258.03
IUPAC Name2-(6-chloropyridazin-3-yl)phthalazin-1-one
SMILESO=c1c2ccccc2cnn1-c1ccc(Cl)nn1
InChIInChI=1S/C12H7ClN4O/c13-10-5-6-11(16-15-10)17-12(18)9-4-2-1-3-8(9)7-14-17/h1-7H
InChIKeySBCPTGUFVCCGOM-UHFFFAOYSA-N
XLogP1.83
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.67
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-3-yl)phthalazin-1-one?
The IUPAC name of 2-(6-chloropyridazin-3-yl)phthalazin-1-one (CID 6401144) is 2-(6-chloropyridazin-3-yl)phthalazin-1-one.
What is the SMILES notation for 2-(6-chloropyridazin-3-yl)phthalazin-1-one?
The canonical SMILES for 2-(6-chloropyridazin-3-yl)phthalazin-1-one is O=c1c2ccccc2cnn1-c1ccc(Cl)nn1.
What is the InChIKey of 2-(6-chloropyridazin-3-yl)phthalazin-1-one?
The InChIKey is SBCPTGUFVCCGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4O/c13-10-5-6-11(16-15-10)17-12(18)9-4-2-1-3-8(9)7-14-17/h1-7H.
What are the key properties of 2-(6-chloropyridazin-3-yl)phthalazin-1-one?
2-(6-chloropyridazin-3-yl)phthalazin-1-one has a molecular weight of 258.67 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-3-yl)phthalazin-1-one is sourced from PubChem (CID 6401144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).