4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one

C12H10ClF2N3O — CID 115613225

IUPAC4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCc2cc(F)ccc2F)c(Cl)c1=O
InChIInChI=1S/C12H10ClF2N3O/c1-18-12(19)11(13)10(6-17-18)16-5-7-4-8(14)2-3-9(7)15/h2-4,6,16H,5H2,1H3
InChIKeyAHFCLLUCFGUVDO-UHFFFAOYSA-N
MW285.68 g/mol
LogP2.32
Rot. Bonds3

About 4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one

4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one (PubChem CID 115613225) has the molecular formula C12H10ClF2N3O and a molecular weight of 285.68 g/mol. Its IUPAC name is 4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one
PubChem CID115613225
Molecular FormulaC12H10ClF2N3O
Molecular Weight285.68 g/mol
Exact Mass285.05
IUPAC Name4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCc2cc(F)ccc2F)c(Cl)c1=O
InChIInChI=1S/C12H10ClF2N3O/c1-18-12(19)11(13)10(6-17-18)16-5-7-4-8(14)2-3-9(7)15/h2-4,6,16H,5H2,1H3
InChIKeyAHFCLLUCFGUVDO-UHFFFAOYSA-N
XLogP2.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.68
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one
CID 133302214
4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 33286975
4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108
5-[(5-bromo-2-fluorophenyl)methylamino]-4-chloro-2-propylpyridazin-3-one
CID 114435119
4-bromo-5-[(2,5-difluorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114438013
N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine
CID 122168522
4-chloro-5-[2-(3,4-difluorophenoxy)ethylamino]-2-methylpyridazin-3-one
CID 133291718
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one
CID 114444517
4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one
CID 104576609
4-chloro-2-methyl-5-[(2-nitrophenyl)methylamino]pyridazin-3-one
CID 47281920
4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 47281719
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one (CID 115613225) is 4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one is Cn1ncc(NCc2cc(F)ccc2F)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one?
The InChIKey is AHFCLLUCFGUVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O/c1-18-12(19)11(13)10(6-17-18)16-5-7-4-8(14)2-3-9(7)15/h2-4,6,16H,5H2,1H3.
What are the key properties of 4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one?
4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one has a molecular weight of 285.68 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 115613225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).