4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one

C13H14ClN3O — CID 1479619

IUPAC4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2ncc(N(C)C)c(Cl)c2=O)cc1
InChIInChI=1S/C13H14ClN3O/c1-9-4-6-10(7-5-9)17-13(18)12(14)11(8-15-17)16(2)3/h4-8H,1-3H3
InChIKeyIOQRBNSNIRQGRR-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.26
Rot. Bonds2

About 4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one

4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one (PubChem CID 1479619) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one
PubChem CID1479619
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2ncc(N(C)C)c(Cl)c2=O)cc1
InChIInChI=1S/C13H14ClN3O/c1-9-4-6-10(7-5-9)17-13(18)12(14)11(8-15-17)16(2)3/h4-8H,1-3H3
InChIKeyIOQRBNSNIRQGRR-UHFFFAOYSA-N
XLogP2.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one (CID 1479619) is 4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one is Cc1ccc(-n2ncc(N(C)C)c(Cl)c2=O)cc1.
What is the InChIKey of 4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one?
The InChIKey is IOQRBNSNIRQGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-4-6-10(7-5-9)17-13(18)12(14)11(8-15-17)16(2)3/h4-8H,1-3H3.
What are the key properties of 4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one?
4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one has a molecular weight of 263.73 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(dimethylamino)-2-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 1479619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).