2-amino-6-ethylpyridazin-3-one

C6H9N3O — CID 59936445

IUPAC2-amino-6-ethylpyridazin-3-one
SMILESCCc1ccc(=O)n(N)n1
InChIInChI=1S/C6H9N3O/c1-2-5-3-4-6(10)9(7)8-5/h3-4H,2,7H2,1H3
InChIKeyQLWDJUYCEQRTSH-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.48
Rot. Bonds1

About 2-amino-6-ethylpyridazin-3-one

2-amino-6-ethylpyridazin-3-one (PubChem CID 59936445) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-amino-6-ethylpyridazin-3-one.

Molecular Properties

Compound Name2-amino-6-ethylpyridazin-3-one
PubChem CID59936445
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-amino-6-ethylpyridazin-3-one
SMILESCCc1ccc(=O)n(N)n1
InChIInChI=1S/C6H9N3O/c1-2-5-3-4-6(10)9(7)8-5/h3-4H,2,7H2,1H3
InChIKeyQLWDJUYCEQRTSH-UHFFFAOYSA-N
XLogP-0.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethylpyridazin-3-one?
The IUPAC name of 2-amino-6-ethylpyridazin-3-one (CID 59936445) is 2-amino-6-ethylpyridazin-3-one.
What is the SMILES notation for 2-amino-6-ethylpyridazin-3-one?
The canonical SMILES for 2-amino-6-ethylpyridazin-3-one is CCc1ccc(=O)n(N)n1.
What is the InChIKey of 2-amino-6-ethylpyridazin-3-one?
The InChIKey is QLWDJUYCEQRTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-5-3-4-6(10)9(7)8-5/h3-4H,2,7H2,1H3.
What are the key properties of 2-amino-6-ethylpyridazin-3-one?
2-amino-6-ethylpyridazin-3-one has a molecular weight of 139.16 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethylpyridazin-3-one is sourced from PubChem (CID 59936445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).