5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one

C13H15N3O — CID 103218225

IUPAC5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
SMILESCc1cc(C)cc(Cn2ncc(N)cc2=O)c1
InChIInChI=1S/C13H15N3O/c1-9-3-10(2)5-11(4-9)8-16-13(17)6-12(14)7-15-16/h3-7H,8,14H2,1-2H3
InChIKeyRCHOITLSPDJUAA-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.49
Rot. Bonds2

About 5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one

5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one (PubChem CID 103218225) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
PubChem CID103218225
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
SMILESCc1cc(C)cc(Cn2ncc(N)cc2=O)c1
InChIInChI=1S/C13H15N3O/c1-9-3-10(2)5-11(4-9)8-16-13(17)6-12(14)7-15-16/h3-7H,8,14H2,1-2H3
InChIKeyRCHOITLSPDJUAA-UHFFFAOYSA-N
XLogP1.49
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one (CID 103218225) is 5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one is Cc1cc(C)cc(Cn2ncc(N)cc2=O)c1.
What is the InChIKey of 5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one?
The InChIKey is RCHOITLSPDJUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-3-10(2)5-11(4-9)8-16-13(17)6-12(14)7-15-16/h3-7H,8,14H2,1-2H3.
What are the key properties of 5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one?
5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one has a molecular weight of 229.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103218225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).