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

C4H5N3O — CID 1201445

IUPAC3-amino-1H-pyridazin-6-one
SMILESNc1ccc(=O)[nH]n1
InChIInChI=1S/C4H5N3O/c5-3-1-2-4(8)7-6-3/h1-2H,(H2,5,6)(H,7,8)
InChIKeyMMZLICVOTDAZOX-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.65
Rot. Bonds

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

3-amino-1H-pyridazin-6-one (PubChem CID 1201445) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 3-amino-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-amino-1H-pyridazin-6-one
PubChem CID1201445
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name3-amino-1H-pyridazin-6-one
SMILESNc1ccc(=O)[nH]n1
InChIInChI=1S/C4H5N3O/c5-3-1-2-4(8)7-6-3/h1-2H,(H2,5,6)(H,7,8)
InChIKeyMMZLICVOTDAZOX-UHFFFAOYSA-N
XLogP-0.65
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-pyridazin-6-one?
The IUPAC name of 3-amino-1H-pyridazin-6-one (CID 1201445) is 3-amino-1H-pyridazin-6-one.
What is the SMILES notation for 3-amino-1H-pyridazin-6-one?
The canonical SMILES for 3-amino-1H-pyridazin-6-one is Nc1ccc(=O)[nH]n1.
What is the InChIKey of 3-amino-1H-pyridazin-6-one?
The InChIKey is MMZLICVOTDAZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c5-3-1-2-4(8)7-6-3/h1-2H,(H2,5,6)(H,7,8).
What are the key properties of 3-amino-1H-pyridazin-6-one?
3-amino-1H-pyridazin-6-one has a molecular weight of 111.10 g/mol, XLogP of -0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-pyridazin-6-one is sourced from PubChem (CID 1201445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).