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

C11H10ClN3O — CID 62848712

IUPAC2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one
SMILESNc1cc(Cn2ncccc2=O)ccc1Cl
InChIInChI=1S/C11H10ClN3O/c12-9-4-3-8(6-10(9)13)7-15-11(16)2-1-5-14-15/h1-6H,7,13H2
InChIKeyYEZRPPYECDVOBA-UHFFFAOYSA-N
MW235.67 g/mol
LogP1.53
Rot. Bonds2

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

2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one (PubChem CID 62848712) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one
PubChem CID62848712
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one
SMILESNc1cc(Cn2ncccc2=O)ccc1Cl
InChIInChI=1S/C11H10ClN3O/c12-9-4-3-8(6-10(9)13)7-15-11(16)2-1-5-14-15/h1-6H,7,13H2
InChIKeyYEZRPPYECDVOBA-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one (CID 62848712) is 2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one is Nc1cc(Cn2ncccc2=O)ccc1Cl.
What is the InChIKey of 2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one?
The InChIKey is YEZRPPYECDVOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-9-4-3-8(6-10(9)13)7-15-11(16)2-1-5-14-15/h1-6H,7,13H2.
What are the key properties of 2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one?
2-[(3-amino-4-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 2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 62848712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).