2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one

C12H20N4O — CID 103073090

IUPAC2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESC=C(CN)Cn1ncc(N(C)CCC)cc1=O
InChIInChI=1S/C12H20N4O/c1-4-5-15(3)11-6-12(17)16(14-8-11)9-10(2)7-13/h6,8H,2,4-5,7,9,13H2,1,3H3
InChIKeyVNKQCPSOVCKRNL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.60
Rot. Bonds6

About 2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one

2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 103073090) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID103073090
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESC=C(CN)Cn1ncc(N(C)CCC)cc1=O
InChIInChI=1S/C12H20N4O/c1-4-5-15(3)11-6-12(17)16(14-8-11)9-10(2)7-13/h6,8H,2,4-5,7,9,13H2,1,3H3
InChIKeyVNKQCPSOVCKRNL-UHFFFAOYSA-N
XLogP0.60
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.60
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

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-[3-Diethylaminopropylamino]-3(2H)-pyridazone
CID 559590
2-t-butyl-5-dimethylamino-3(2H)-pyridazinone
CID 18918907
4-Methanimidoyl-5-(methylamino)-2-prop-2-enylpyridazin-3-one
CID 156187890
5-(Dimethylamino)-2-ethylpyridazin-3-one
CID 167137562
4-[3-(dimethylamino)propyl-ethylamino]-1H-pyridazin-6-one
CID 102999176
4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one
CID 102999184
2-[2-(Ethylaminomethyl)prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103073044
2-[2-[(Tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103073045

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one (CID 103073090) is 2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one is C=C(CN)Cn1ncc(N(C)CCC)cc1=O.
What is the InChIKey of 2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is VNKQCPSOVCKRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-5-15(3)11-6-12(17)16(14-8-11)9-10(2)7-13/h6,8H,2,4-5,7,9,13H2,1,3H3.
What are the key properties of 2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one?
2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 236.32 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 103073090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).