4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one

C12H13N3O — CID 58128682

IUPAC4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one
SMILESCc1ccc(-c2ccnn(C)c2=O)cc1N
InChIInChI=1S/C12H13N3O/c1-8-3-4-9(7-11(8)13)10-5-6-14-15(2)12(10)16/h3-7H,13H2,1-2H3
InChIKeyAIVZRCBLILQMEV-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.34
Rot. Bonds1

About 4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one

4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one (PubChem CID 58128682) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one
PubChem CID58128682
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one
SMILESCc1ccc(-c2ccnn(C)c2=O)cc1N
InChIInChI=1S/C12H13N3O/c1-8-3-4-9(7-11(8)13)10-5-6-14-15(2)12(10)16/h3-7H,13H2,1-2H3
InChIKeyAIVZRCBLILQMEV-UHFFFAOYSA-N
XLogP1.34
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one?
The IUPAC name of 4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one (CID 58128682) is 4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one is Cc1ccc(-c2ccnn(C)c2=O)cc1N.
What is the InChIKey of 4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one?
The InChIKey is AIVZRCBLILQMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-3-4-9(7-11(8)13)10-5-6-14-15(2)12(10)16/h3-7H,13H2,1-2H3.
What are the key properties of 4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one?
4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one has a molecular weight of 215.26 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 58128682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).