2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one

C13H13F2N3O — CID 107523246

IUPAC2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC(N)c2cc(F)ccc2F)c(=O)c1
InChIInChI=1S/C13H13F2N3O/c1-8-4-13(19)18(17-6-8)7-12(16)10-5-9(14)2-3-11(10)15/h2-6,12H,7,16H2,1H3
InChIKeyRVNAKINZRNUFIP-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.53
Rot. Bonds3

About 2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one

2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one (PubChem CID 107523246) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one
PubChem CID107523246
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC(N)c2cc(F)ccc2F)c(=O)c1
InChIInChI=1S/C13H13F2N3O/c1-8-4-13(19)18(17-6-8)7-12(16)10-5-9(14)2-3-11(10)15/h2-6,12H,7,16H2,1H3
InChIKeyRVNAKINZRNUFIP-UHFFFAOYSA-N
XLogP1.53
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548613
3-[2-amino-2-(2,5-difluorophenyl)ethyl]-6-methylpyrimidin-4-one
CID 107522329
2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548597
1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine
CID 107522350
2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one
CID 106548563
2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 107522557
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one
CID 107522950
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
CID 107522884
1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 107520830
2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548689
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 107523061
1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 107522065

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one (CID 107523246) is 2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one is Cc1cnn(CC(N)c2cc(F)ccc2F)c(=O)c1.
What is the InChIKey of 2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one?
The InChIKey is RVNAKINZRNUFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-8-4-13(19)18(17-6-8)7-12(16)10-5-9(14)2-3-11(10)15/h2-6,12H,7,16H2,1H3.
What are the key properties of 2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one?
2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one has a molecular weight of 265.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 107523246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).