4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one

C13H12Cl2FN3O — CID 133431106

IUPAC4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one
SMILESCN(Cc1ccc(Cl)c(F)c1)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C13H12Cl2FN3O/c1-18(7-8-3-4-9(14)10(16)5-8)11-6-17-19(2)13(20)12(11)15/h3-6H,7H2,1-2H3
InChIKeyADTLRIQGWWWBOZ-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.86
Rot. Bonds3

About 4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one

4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one (PubChem CID 133431106) has the molecular formula C13H12Cl2FN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one
PubChem CID133431106
Molecular FormulaC13H12Cl2FN3O
Molecular Weight316.16 g/mol
Exact Mass315.03
IUPAC Name4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one
SMILESCN(Cc1ccc(Cl)c(F)c1)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C13H12Cl2FN3O/c1-18(7-8-3-4-9(14)10(16)5-8)11-6-17-19(2)13(20)12(11)15/h3-6H,7H2,1-2H3
InChIKeyADTLRIQGWWWBOZ-UHFFFAOYSA-N
XLogP2.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[(3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one
CID 33287328
4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one
CID 71981385
N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62680595
5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one
CID 107894341
methyl 2-[(4-chloro-3-fluorophenyl)methyl-methylamino]benzoate
CID 107885982
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 133431107
1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine
CID 131177038
4-[(4-chloro-3-fluorophenyl)methyl-methylamino]-3-nitrobenzenesulfonamide
CID 133431124
4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one
CID 133382272
4-chloro-5-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]-2-methylpyridazin-3-one
CID 95968536
N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide
CID 60681368
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide
CID 133431049

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one (CID 133431106) is 4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one is CN(Cc1ccc(Cl)c(F)c1)c1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one?
The InChIKey is ADTLRIQGWWWBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FN3O/c1-18(7-8-3-4-9(14)10(16)5-8)11-6-17-19(2)13(20)12(11)15/h3-6H,7H2,1-2H3.
What are the key properties of 4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one?
4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one has a molecular weight of 316.16 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133431106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).