5-(dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one

C13H22N4O — CID 103073053

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

About 5-(dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one

5-(dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one (PubChem CID 103073053) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
PubChem CID103073053
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-(dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNCCC)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C13H22N4O/c1-5-6-14-8-11(2)10-17-13(18)7-12(9-15-17)16(3)4/h7,9,14H,2,5-6,8,10H2,1,3-4H3
InChIKeyBXVLKSBPLIAJHB-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]propanamide
CID 110876544
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
CID 110876546
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-methylpropanamide
CID 110876550
N~1~-[1-(1-Ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide
CID 110876551
4-(Aminomethyl)-5-(ethylamino)-2-methylpyridazin-3(2h)-one
CID 46848463
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3(2H)-one
CID 72876309
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(1,1-dimethylpropyl)acetamide
CID 72901531
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-[Ethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397615

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one (CID 103073053) is 5-(dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one is C=C(CNCCC)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is BXVLKSBPLIAJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-6-14-8-11(2)10-17-13(18)7-12(9-15-17)16(3)4/h7,9,14H,2,5-6,8,10H2,1,3-4H3.
What are the key properties of 5-(dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-(propylaminomethyl)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-(dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103073053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).