1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone

C19H17N3O — CID 6411200

IUPAC1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(-c3ccccc3C)nn2)cc1
InChIInChI=1S/C19H17N3O/c1-13-5-3-4-6-17(13)18-11-12-19(22-21-18)20-16-9-7-15(8-10-16)14(2)23/h3-12H,1-2H3,(H,20,22)
InChIKeySURGCMDBBLDDSZ-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.40
Rot. Bonds4

About 1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone

1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone (PubChem CID 6411200) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone
PubChem CID6411200
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(-c3ccccc3C)nn2)cc1
InChIInChI=1S/C19H17N3O/c1-13-5-3-4-6-17(13)18-11-12-19(22-21-18)20-16-9-7-15(8-10-16)14(2)23/h3-12H,1-2H3,(H,20,22)
InChIKeySURGCMDBBLDDSZ-UHFFFAOYSA-N
XLogP4.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-(4-Tert-butylphenylamino)phthalazin-1-yl)benzamide
CID 5298698
4-(4-p-Tolylamino-phthalazin-1-yl)-benzamide
CID 1416020
4-(4-(m-Tolylamino)phthalazin-1-yl)benzamide
CID 1416247
1-[4-[[6-(2-Fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 6411229
N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide
CID 626021
N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide
CID 656150
4-({4-[4-(diethylcarbamoyl)phenyl]phthalazin-1-yl}amino)-N,N-dimethylbenzamide
CID 1387594
2-[4-(4-p-Tolyl-phthalazin-1-ylamino)-phenyl]-acetamide
CID 1385049
2-[4-(4-Phenyl-phthalazin-1-ylamino)-phenyl]-acetamide
CID 1385107
4-[4-[4-(Methylcarbamoyl)anilino]phthalazin-1-yl]benzamide
CID 1418252
4-(4-(3-Tert-butylphenylamino)phthalazin-1-yl)benzamide
CID 5298697
3-(4-(4-Tert-butylphenylamino)phthalazin-1-yl)benzamide
CID 44402864

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone (CID 6411200) is 1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2ccc(-c3ccccc3C)nn2)cc1.
What is the InChIKey of 1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone?
The InChIKey is SURGCMDBBLDDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-5-3-4-6-17(13)18-11-12-19(22-21-18)20-16-9-7-15(8-10-16)14(2)23/h3-12H,1-2H3,(H,20,22).
What are the key properties of 1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone?
1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone has a molecular weight of 303.37 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone is sourced from PubChem (CID 6411200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).