3-(diethylamino)-1H-pyridazin-6-one

C8H13N3O — CID 70522275

IUPAC3-(diethylamino)-1H-pyridazin-6-one
SMILESCCN(CC)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H13N3O/c1-3-11(4-2)7-5-6-8(12)10-9-7/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKeyBCCPXBINDLQTBI-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.62
Rot. Bonds3

About 3-(diethylamino)-1H-pyridazin-6-one

3-(diethylamino)-1H-pyridazin-6-one (PubChem CID 70522275) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(diethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(diethylamino)-1H-pyridazin-6-one
PubChem CID70522275
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(diethylamino)-1H-pyridazin-6-one
SMILESCCN(CC)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H13N3O/c1-3-11(4-2)7-5-6-8(12)10-9-7/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKeyBCCPXBINDLQTBI-UHFFFAOYSA-N
XLogP0.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1H-pyridazin-6-one?
The IUPAC name of 3-(diethylamino)-1H-pyridazin-6-one (CID 70522275) is 3-(diethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(diethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 3-(diethylamino)-1H-pyridazin-6-one is CCN(CC)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-(diethylamino)-1H-pyridazin-6-one?
The InChIKey is BCCPXBINDLQTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-11(4-2)7-5-6-8(12)10-9-7/h5-6H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 3-(diethylamino)-1H-pyridazin-6-one?
3-(diethylamino)-1H-pyridazin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 70522275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).