3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one

C12H11Cl2N3O — CID 82419280

IUPAC3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(CN)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-7-4-12(18)10(6-15)16-17(7)11-3-2-8(13)5-9(11)14/h2-5H,6,15H2,1H3
InChIKeyQZKPIXQVYAXJGN-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.31
Rot. Bonds2

About 3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one

3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one (PubChem CID 82419280) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one
PubChem CID82419280
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(CN)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-7-4-12(18)10(6-15)16-17(7)11-3-2-8(13)5-9(11)14/h2-5H,6,15H2,1H3
InChIKeyQZKPIXQVYAXJGN-UHFFFAOYSA-N
XLogP2.31
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
CID 82419272
3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one
CID 82421541
3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one
CID 82420285
3-(aminomethyl)-1-(4-bromophenyl)-6-methylpyridazin-4-one
CID 82419304
[2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82482816
3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one
CID 82421897
N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide
CID 75445337
3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one
CID 82420041
1-(3-chloro-4-fluorophenyl)-3-(chloromethyl)-6-methylpyridazin-4-one
CID 82420490
3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one
CID 14820803
1-(2,4-dichlorophenyl)-2,5-dimethylpyrrole
CID 4771829
2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-one
CID 12898506

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one (CID 82419280) is 3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one is Cc1cc(=O)c(CN)nn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one?
The InChIKey is QZKPIXQVYAXJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-7-4-12(18)10(6-15)16-17(7)11-3-2-8(13)5-9(11)14/h2-5H,6,15H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one?
3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one has a molecular weight of 284.15 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82419280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).