6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one

C15H19N3O — CID 82105345

IUPAC6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(C)C)n2)cc1N
InChIInChI=1S/C15H19N3O/c1-10(2)9-18-15(19)7-6-14(17-18)12-5-4-11(3)13(16)8-12/h4-8,10H,9,16H2,1-3H3
InChIKeyCWRQYTOLHGPNRZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.46
Rot. Bonds3

About 6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one

6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82105345) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82105345
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(C)C)n2)cc1N
InChIInChI=1S/C15H19N3O/c1-10(2)9-18-15(19)7-6-14(17-18)12-5-4-11(3)13(16)8-12/h4-8,10H,9,16H2,1-3H3
InChIKeyCWRQYTOLHGPNRZ-UHFFFAOYSA-N
XLogP2.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82105416
4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467631
4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467609
6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 82442346
6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one
CID 82105402
6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one
CID 82105386
1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine
CID 121214181
6-(4-aminophenyl)-2-ethylpyridazin-3-one
CID 82105433
1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde
CID 82442319
methyl (2S)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7666078
6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 82105302
ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 100785448

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one (CID 82105345) is 6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CC(C)C)n2)cc1N.
What is the InChIKey of 6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is CWRQYTOLHGPNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)9-18-15(19)7-6-14(17-18)12-5-4-11(3)13(16)8-12/h4-8,10H,9,16H2,1-3H3.
What are the key properties of 6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 257.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82105345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).