3-amino-6-ethyl-1H-pyridazin-4-one

C6H9N3O — CID 19991470

IUPAC3-amino-6-ethyl-1H-pyridazin-4-one
SMILESCCc1cc(=O)c(N)n[nH]1
InChIInChI=1S/C6H9N3O/c1-2-4-3-5(10)6(7)9-8-4/h3H,2H2,1H3,(H2,7,9)(H,8,10)
InChIKeyRCFGZDJVXCZAJK-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.09
Rot. Bonds1

About 3-amino-6-ethyl-1H-pyridazin-4-one

3-amino-6-ethyl-1H-pyridazin-4-one (PubChem CID 19991470) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 3-amino-6-ethyl-1H-pyridazin-4-one.

Molecular Properties

Compound Name3-amino-6-ethyl-1H-pyridazin-4-one
PubChem CID19991470
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name3-amino-6-ethyl-1H-pyridazin-4-one
SMILESCCc1cc(=O)c(N)n[nH]1
InChIInChI=1S/C6H9N3O/c1-2-4-3-5(10)6(7)9-8-4/h3H,2H2,1H3,(H2,7,9)(H,8,10)
InChIKeyRCFGZDJVXCZAJK-UHFFFAOYSA-N
XLogP-0.09
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethyl-1H-pyridazin-4-one?
The IUPAC name of 3-amino-6-ethyl-1H-pyridazin-4-one (CID 19991470) is 3-amino-6-ethyl-1H-pyridazin-4-one.
What is the SMILES notation for 3-amino-6-ethyl-1H-pyridazin-4-one?
The canonical SMILES for 3-amino-6-ethyl-1H-pyridazin-4-one is CCc1cc(=O)c(N)n[nH]1.
What is the InChIKey of 3-amino-6-ethyl-1H-pyridazin-4-one?
The InChIKey is RCFGZDJVXCZAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-4-3-5(10)6(7)9-8-4/h3H,2H2,1H3,(H2,7,9)(H,8,10).
What are the key properties of 3-amino-6-ethyl-1H-pyridazin-4-one?
3-amino-6-ethyl-1H-pyridazin-4-one has a molecular weight of 139.16 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethyl-1H-pyridazin-4-one is sourced from PubChem (CID 19991470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).