1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one

C15H18ClN3O — CID 82420193

IUPAC1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
SMILESCCNCc1nn(-c2cccc(Cl)c2C)c(C)cc1=O
InChIInChI=1S/C15H18ClN3O/c1-4-17-9-13-15(20)8-10(2)19(18-13)14-7-5-6-12(16)11(14)3/h5-8,17H,4,9H2,1-3H3
InChIKeyHBYQUUWSGMBOMN-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.61
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one

1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one (PubChem CID 82420193) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
PubChem CID82420193
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
SMILESCCNCc1nn(-c2cccc(Cl)c2C)c(C)cc1=O
InChIInChI=1S/C15H18ClN3O/c1-4-17-9-13-15(20)8-10(2)19(18-13)14-7-5-6-12(16)11(14)3/h5-8,17H,4,9H2,1-3H3
InChIKeyHBYQUUWSGMBOMN-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82419228
1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420484
1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one
CID 82419961
3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
CID 82421029
1-(2,5-dimethoxyphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420726
3-(butylaminomethyl)-1-(2-ethylphenyl)-6-methylpyridazin-4-one
CID 82419883
[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine
CID 82083524
3-(butylaminomethyl)-1-(2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82419519
N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 84617889
3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one
CID 14820803
5-chloro-1-(3-chloro-2-methylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82362448
3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82419522

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one (CID 82420193) is 1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one is CCNCc1nn(-c2cccc(Cl)c2C)c(C)cc1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one?
The InChIKey is HBYQUUWSGMBOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-17-9-13-15(20)8-10(2)19(18-13)14-7-5-6-12(16)11(14)3/h5-8,17H,4,9H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one?
1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one has a molecular weight of 291.78 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82420193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).