5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one

C13H22N4O — CID 103073082

IUPAC5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N(CC)CC)cc1=O
InChIInChI=1S/C13H22N4O/c1-5-16(6-2)12-7-13(18)17(15-9-12)10-11(3)8-14-4/h7,9,14H,3,5-6,8,10H2,1-2,4H3
InChIKeyJFLOPFUCXBECDQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.87
Rot. Bonds7

About 5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one

5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one (PubChem CID 103073082) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
PubChem CID103073082
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N(CC)CC)cc1=O
InChIInChI=1S/C13H22N4O/c1-5-16(6-2)12-7-13(18)17(15-9-12)10-11(3)8-14-4/h7,9,14H,3,5-6,8,10H2,1-2,4H3
InChIKeyJFLOPFUCXBECDQ-UHFFFAOYSA-N
XLogP0.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(Aminomethyl)-5-(ethylamino)-2-methylpyridazin-3(2h)-one
CID 46848463
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one
CID 103366653
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 103366657
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one
CID 103366658
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 103366659
5-[Methyl(propyl)amino]-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397731
5-[3-Diethylaminopropylamino]-3(2H)-pyridazone
CID 559590
4-Methanimidoyl-5-(methylamino)-2-prop-2-enylpyridazin-3-one
CID 156187890
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
5-[(1-Ethylazepin-3-yl)amino]-2,4-dimethylpyridazin-3-one
CID 175131514
2,4-Dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one
CID 175138229
N~3~-acetyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-beta-alaninamide
CID 70711027

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one (CID 103073082) is 5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one is C=C(CNC)Cn1ncc(N(CC)CC)cc1=O.
What is the InChIKey of 5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is JFLOPFUCXBECDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-16(6-2)12-7-13(18)17(15-9-12)10-11(3)8-14-4/h7,9,14H,3,5-6,8,10H2,1-2,4H3.
What are the key properties of 5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 250.35 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103073082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).