5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one

C11H11N3O — CID 82445397

IUPAC5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one
SMILESNCc1cc(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C11H11N3O/c12-7-9-6-10(13-14-11(9)15)8-4-2-1-3-5-8/h1-6H,7,12H2,(H,14,15)
InChIKeyPFDMJTQRTLDKIY-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.90
Rot. Bonds2

About 5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one

5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one (PubChem CID 82445397) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one
PubChem CID82445397
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one
SMILESNCc1cc(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C11H11N3O/c12-7-9-6-10(13-14-11(9)15)8-4-2-1-3-5-8/h1-6H,7,12H2,(H,14,15)
InChIKeyPFDMJTQRTLDKIY-UHFFFAOYSA-N
XLogP0.90
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one (CID 82445397) is 5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one is NCc1cc(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one?
The InChIKey is PFDMJTQRTLDKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-7-9-6-10(13-14-11(9)15)8-4-2-1-3-5-8/h1-6H,7,12H2,(H,14,15).
What are the key properties of 5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one?
5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one has a molecular weight of 201.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 82445397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).