3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one

C14H17N3O — CID 82467314

IUPAC3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one
SMILESCc1cc(C)c(-n2nc(N)c(=O)cc2C)c(C)c1
InChIInChI=1S/C14H17N3O/c1-8-5-9(2)13(10(3)6-8)17-11(4)7-12(18)14(15)16-17/h5-7H,1-4H3,(H2,15,16)
InChIKeyJDPNNKZKTUKEPN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.05
Rot. Bonds1

About 3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one

3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one (PubChem CID 82467314) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one
PubChem CID82467314
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one
SMILESCc1cc(C)c(-n2nc(N)c(=O)cc2C)c(C)c1
InChIInChI=1S/C14H17N3O/c1-8-5-9(2)13(10(3)6-8)17-11(4)7-12(18)14(15)16-17/h5-7H,1-4H3,(H2,15,16)
InChIKeyJDPNNKZKTUKEPN-UHFFFAOYSA-N
XLogP2.05
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-oxo-1-(2,4,6-trimethylphenyl)pyridazine-3-carbohydrazide
CID 82420147
3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one
CID 14820803
3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one
CID 82420285
methyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate
CID 55120572
3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
CID 39247652
1-(2,6-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carbothioamide
CID 82420278
3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one
CID 82467326
3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride
CID 122715031
5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
CID 62797360
6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine
CID 163248692
6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
CID 82420094
1-(2-chloro-4,6-dimethylphenyl)-3-(chloromethyl)-5-methylpyrazole
CID 82134241

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one?
The IUPAC name of 3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one (CID 82467314) is 3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one.
What is the SMILES notation for 3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one?
The canonical SMILES for 3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one is Cc1cc(C)c(-n2nc(N)c(=O)cc2C)c(C)c1.
What is the InChIKey of 3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one?
The InChIKey is JDPNNKZKTUKEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-8-5-9(2)13(10(3)6-8)17-11(4)7-12(18)14(15)16-17/h5-7H,1-4H3,(H2,15,16).
What are the key properties of 3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one?
3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one has a molecular weight of 243.31 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one is sourced from PubChem (CID 82467314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).