5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one

C11H11N3O — CID 117127405

IUPAC5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one
SMILESCc1cccc(-c2cn[nH]c(=O)c2N)c1
InChIInChI=1S/C11H11N3O/c1-7-3-2-4-8(5-7)9-6-13-14-11(15)10(9)12/h2-6H,1H3,(H2,12,13)(H,14,15)
InChIKeyQOFQZGSKEFWJIJ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.33
Rot. Bonds1

About 5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one

5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one (PubChem CID 117127405) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one
PubChem CID117127405
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one
SMILESCc1cccc(-c2cn[nH]c(=O)c2N)c1
InChIInChI=1S/C11H11N3O/c1-7-3-2-4-8(5-7)9-6-13-14-11(15)10(9)12/h2-6H,1H3,(H2,12,13)(H,14,15)
InChIKeyQOFQZGSKEFWJIJ-UHFFFAOYSA-N
XLogP1.33
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-(3-methylphenyl)-1H-pyrazole
CID 54111991
5-amino-4-(furan-2-yl)-1H-pyridazin-6-one
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2-(3-methylphenyl)-6-phenylaniline
CID 150906011
1,3-diethyl-5-[5-(3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one
CID 22063925
4-methyl-5-(3-methylphenyl)pyridin-2-amine
CID 79730061
1,4,5,8-tetrakis(3-methylphenyl)anthracene-9,10-dione
CID 25054148
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193
2-methyl-5-(3-methylphenyl)pyrimidin-4-amine
CID 62899429
4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine
CID 22408196
2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine
CID 39222030
methyl 2-amino-3-(3-methylphenyl)benzoate
CID 171919919
3-(3-methylphenyl)-1H-pyrazin-2-one
CID 112558965

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one (CID 117127405) is 5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one is Cc1cccc(-c2cn[nH]c(=O)c2N)c1.
What is the InChIKey of 5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one?
The InChIKey is QOFQZGSKEFWJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-3-2-4-8(5-7)9-6-13-14-11(15)10(9)12/h2-6H,1H3,(H2,12,13)(H,14,15).
What are the key properties of 5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one?
5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one has a molecular weight of 201.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 117127405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).