5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one

C12H11ClFN3O — CID 46682264

IUPAC5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one
SMILESCc1cc(CNc2cn[nH]c(=O)c2Cl)ccc1F
InChIInChI=1S/C12H11ClFN3O/c1-7-4-8(2-3-9(7)14)5-15-10-6-16-17-12(18)11(10)13/h2-4,6H,5H2,1H3,(H2,15,17,18)
InChIKeyMEAAKPKNDLNAFO-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.48
Rot. Bonds3

About 5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one

5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one (PubChem CID 46682264) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one
PubChem CID46682264
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one
SMILESCc1cc(CNc2cn[nH]c(=O)c2Cl)ccc1F
InChIInChI=1S/C12H11ClFN3O/c1-7-4-8(2-3-9(7)14)5-15-10-6-16-17-12(18)11(10)13/h2-4,6H,5H2,1H3,(H2,15,17,18)
InChIKeyMEAAKPKNDLNAFO-UHFFFAOYSA-N
XLogP2.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 112730959
5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
CID 78970910
4-[(4-bromophenyl)methylamino]-5-chloro-1H-pyridazin-6-one
CID 78948051
5-chloro-4-[(4-methylthiophen-3-yl)methylamino]-1H-pyridazin-6-one
CID 80747448
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline
CID 114251741
5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one
CID 133477281
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one
CID 133431333
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline
CID 63419437
5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one
CID 78989356
2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine
CID 151014495

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one (CID 46682264) is 5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one is Cc1cc(CNc2cn[nH]c(=O)c2Cl)ccc1F.
What is the InChIKey of 5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one?
The InChIKey is MEAAKPKNDLNAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-7-4-8(2-3-9(7)14)5-15-10-6-16-17-12(18)11(10)13/h2-4,6H,5H2,1H3,(H2,15,17,18).
What are the key properties of 5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one?
5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one has a molecular weight of 267.69 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 46682264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).