3-amino-5-phenyl-1H-pyridazin-6-one

C10H9N3O — CID 71678563

IUPAC3-amino-5-phenyl-1H-pyridazin-6-one
SMILESNc1cc(-c2ccccc2)c(=O)[nH]n1
InChIInChI=1S/C10H9N3O/c11-9-6-8(10(14)13-12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12)(H,13,14)
InChIKeyYJGAKEQOUFXKBO-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.02
Rot. Bonds1

About 3-amino-5-phenyl-1H-pyridazin-6-one

3-amino-5-phenyl-1H-pyridazin-6-one (PubChem CID 71678563) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-amino-5-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-amino-5-phenyl-1H-pyridazin-6-one
PubChem CID71678563
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-amino-5-phenyl-1H-pyridazin-6-one
SMILESNc1cc(-c2ccccc2)c(=O)[nH]n1
InChIInChI=1S/C10H9N3O/c11-9-6-8(10(14)13-12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12)(H,13,14)
InChIKeyYJGAKEQOUFXKBO-UHFFFAOYSA-N
XLogP1.02
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-phenyl-1H-pyridazin-6-one?
The IUPAC name of 3-amino-5-phenyl-1H-pyridazin-6-one (CID 71678563) is 3-amino-5-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-amino-5-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 3-amino-5-phenyl-1H-pyridazin-6-one is Nc1cc(-c2ccccc2)c(=O)[nH]n1.
What is the InChIKey of 3-amino-5-phenyl-1H-pyridazin-6-one?
The InChIKey is YJGAKEQOUFXKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-9-6-8(10(14)13-12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12)(H,13,14).
What are the key properties of 3-amino-5-phenyl-1H-pyridazin-6-one?
3-amino-5-phenyl-1H-pyridazin-6-one has a molecular weight of 187.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 71678563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).