4-acetyl-5-amino-1H-pyridazin-6-one

C6H7N3O2 — CID 68892644

IUPAC4-acetyl-5-amino-1H-pyridazin-6-one
SMILESCC(=O)c1cn[nH]c(=O)c1N
InChIInChI=1S/C6H7N3O2/c1-3(10)4-2-8-9-6(11)5(4)7/h2H,1H3,(H2,7,8)(H,9,11)
InChIKeyCDKWKHJJJLWGSK-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.45
Rot. Bonds1

About 4-acetyl-5-amino-1H-pyridazin-6-one

4-acetyl-5-amino-1H-pyridazin-6-one (PubChem CID 68892644) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-acetyl-5-amino-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-acetyl-5-amino-1H-pyridazin-6-one
PubChem CID68892644
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name4-acetyl-5-amino-1H-pyridazin-6-one
SMILESCC(=O)c1cn[nH]c(=O)c1N
InChIInChI=1S/C6H7N3O2/c1-3(10)4-2-8-9-6(11)5(4)7/h2H,1H3,(H2,7,8)(H,9,11)
InChIKeyCDKWKHJJJLWGSK-UHFFFAOYSA-N
XLogP-0.45
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-amino-1H-pyridazin-6-one?
The IUPAC name of 4-acetyl-5-amino-1H-pyridazin-6-one (CID 68892644) is 4-acetyl-5-amino-1H-pyridazin-6-one.
What is the SMILES notation for 4-acetyl-5-amino-1H-pyridazin-6-one?
The canonical SMILES for 4-acetyl-5-amino-1H-pyridazin-6-one is CC(=O)c1cn[nH]c(=O)c1N.
What is the InChIKey of 4-acetyl-5-amino-1H-pyridazin-6-one?
The InChIKey is CDKWKHJJJLWGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-3(10)4-2-8-9-6(11)5(4)7/h2H,1H3,(H2,7,8)(H,9,11).
What are the key properties of 4-acetyl-5-amino-1H-pyridazin-6-one?
4-acetyl-5-amino-1H-pyridazin-6-one has a molecular weight of 153.14 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-amino-1H-pyridazin-6-one is sourced from PubChem (CID 68892644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).