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

C11H10ClN3O — CID 116788203

IUPAC6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one
SMILESNc1ccc(=O)n(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C11H10ClN3O/c12-9-3-1-2-8(6-9)7-15-11(16)5-4-10(13)14-15/h1-6H,7H2,(H2,13,14)
InChIKeyFJCWRGUBESCFBH-UHFFFAOYSA-N
MW235.67 g/mol
LogP1.53
Rot. Bonds2

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

6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one (PubChem CID 116788203) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one
PubChem CID116788203
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one
SMILESNc1ccc(=O)n(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C11H10ClN3O/c12-9-3-1-2-8(6-9)7-15-11(16)5-4-10(13)14-15/h1-6H,7H2,(H2,13,14)
InChIKeyFJCWRGUBESCFBH-UHFFFAOYSA-N
XLogP1.53
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one
CID 116788391
6-amino-2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 116788200
2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one
CID 59849727
5-amino-1-[(3-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 82589276
1-[(3-chlorophenyl)methyl]piperidine-2,6-dione
CID 82129732
2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579341
1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine
CID 79542116
5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one
CID 103222750
2-[(3-chlorophenyl)methyl]-5-ethoxy-1,2,4-triazol-3-amine
CID 79872536
4-bromo-1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128432
5-[(4-chloroanilino)methyl]-2-[(3-chlorophenyl)methyl]-4H-1,2,4-triazol-3-one
CID 135658218
2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82297625

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one (CID 116788203) is 6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one is Nc1ccc(=O)n(Cc2cccc(Cl)c2)n1.
What is the InChIKey of 6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one?
The InChIKey is FJCWRGUBESCFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-9-3-1-2-8(6-9)7-15-11(16)5-4-10(13)14-15/h1-6H,7H2,(H2,13,14).
What are the key properties of 6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one?
6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one has a molecular weight of 235.67 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 116788203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).