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

C13H14ClN3O2 — CID 33286975

IUPAC4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
SMILESCOc1ccccc1CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C13H14ClN3O2/c1-17-13(18)12(14)10(8-16-17)15-7-9-5-3-4-6-11(9)19-2/h3-6,8,15H,7H2,1-2H3
InChIKeyFXAFSVPYAQDUSZ-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.05
Rot. Bonds4

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

4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one (PubChem CID 33286975) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
PubChem CID33286975
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
SMILESCOc1ccccc1CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C13H14ClN3O2/c1-17-13(18)12(14)10(8-16-17)15-7-9-5-3-4-6-11(9)19-2/h3-6,8,15H,7H2,1-2H3
InChIKeyFXAFSVPYAQDUSZ-UHFFFAOYSA-N
XLogP2.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108
4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one
CID 115613225
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine
CID 122168358
N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 19625828
4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one
CID 104576609
4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
CID 115573801
4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one
CID 47174554
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one
CID 114444517
4-[[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382261
5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one
CID 133324149

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one (CID 33286975) is 4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one is COc1ccccc1CNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one?
The InChIKey is FXAFSVPYAQDUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-17-13(18)12(14)10(8-16-17)15-7-9-5-3-4-6-11(9)19-2/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one?
4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one has a molecular weight of 279.73 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 33286975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).