3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one

C11H20N4O — CID 121205903

IUPAC3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one
SMILESCCN(CC)CCCNc1ccc(=O)[nH]n1
InChIInChI=1S/C11H20N4O/c1-3-15(4-2)9-5-8-12-10-6-7-11(16)14-13-10/h6-7H,3-5,8-9H2,1-2H3,(H,12,13)(H,14,16)
InChIKeySDWFOMVTXPXNMJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.91
Rot. Bonds7

About 3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one

3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one (PubChem CID 121205903) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one
PubChem CID121205903
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one
SMILESCCN(CC)CCCNc1ccc(=O)[nH]n1
InChIInChI=1S/C11H20N4O/c1-3-15(4-2)9-5-8-12-10-6-7-11(16)14-13-10/h6-7H,3-5,8-9H2,1-2H3,(H,12,13)(H,14,16)
InChIKeySDWFOMVTXPXNMJ-UHFFFAOYSA-N
XLogP0.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxyethylamino)-1H-pyridazin-6-one
CID 71322666
3-(3-phenylpropylamino)-1H-pyridazin-6-one
CID 121205918
N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 559472
N',N'-diethyl-N-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 28538897
3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one
CID 126992242
6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 103340951
N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine
CID 83813459
N-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine
CID 106544023
methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate
CID 60792604
2-N-[3-(diethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261118
N',N'-diethyl-N-(6-hydrazinyl-2-pyridinyl)propane-1,3-diamine
CID 80944940
2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one
CID 136779917

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one (CID 121205903) is 3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one is CCN(CC)CCCNc1ccc(=O)[nH]n1.
What is the InChIKey of 3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one?
The InChIKey is SDWFOMVTXPXNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15(4-2)9-5-8-12-10-6-7-11(16)14-13-10/h6-7H,3-5,8-9H2,1-2H3,(H,12,13)(H,14,16).
What are the key properties of 3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one?
3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one has a molecular weight of 224.31 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 121205903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).