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

C11H9Cl2N3O — CID 107313014

IUPAC5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one
SMILESNc1cnn(Cc2cccc(Cl)c2Cl)c(=O)c1
InChIInChI=1S/C11H9Cl2N3O/c12-9-3-1-2-7(11(9)13)6-16-10(17)4-8(14)5-15-16/h1-5H,6,14H2
InChIKeyPYTAJPOXFOUNJF-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.18
Rot. Bonds2

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

5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one (PubChem CID 107313014) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one
PubChem CID107313014
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one
SMILESNc1cnn(Cc2cccc(Cl)c2Cl)c(=O)c1
InChIInChI=1S/C11H9Cl2N3O/c12-9-3-1-2-7(11(9)13)6-16-10(17)4-8(14)5-15-16/h1-5H,6,14H2
InChIKeyPYTAJPOXFOUNJF-UHFFFAOYSA-N
XLogP2.18
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one
CID 22892828
2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 107313022
2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one
CID 166336869
5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
CID 103220968
5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one
CID 103218397
5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103218225
2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103221743
2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393589
2-[(2-chloro-3-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114395520
5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one
CID 103218230
5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one
CID 114268942
5-amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one (CID 107313014) is 5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one is Nc1cnn(Cc2cccc(Cl)c2Cl)c(=O)c1.
What is the InChIKey of 5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one?
The InChIKey is PYTAJPOXFOUNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c12-9-3-1-2-7(11(9)13)6-16-10(17)4-8(14)5-15-16/h1-5H,6,14H2.
What are the key properties of 5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one?
5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one has a molecular weight of 270.12 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 107313014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).