6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one

C15H18ClN3O — CID 82442349

IUPAC6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nc(C(N)c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C15H18ClN3O/c1-10(2)9-19-14(20)8-7-13(18-19)15(17)11-3-5-12(16)6-4-11/h3-8,10,15H,9,17H2,1-2H3
InChIKeyWCESHHNMUOGAHN-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.60
Rot. Bonds4

About 6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one

6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82442349) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82442349
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nc(C(N)c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C15H18ClN3O/c1-10(2)9-19-14(20)8-7-13(18-19)15(17)11-3-5-12(16)6-4-11/h3-8,10,15H,9,17H2,1-2H3
InChIKeyWCESHHNMUOGAHN-UHFFFAOYSA-N
XLogP2.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one (CID 82442349) is 6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1nc(C(N)c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is WCESHHNMUOGAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10(2)9-19-14(20)8-7-13(18-19)15(17)11-3-5-12(16)6-4-11/h3-8,10,15H,9,17H2,1-2H3.
What are the key properties of 6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one?
6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 291.78 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82442349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).