2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one

C14H24N4O — CID 103073052

IUPAC2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one
SMILESC=C(CNC(C)(C)C)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C14H24N4O/c1-11(8-15-14(2,3)4)10-18-13(19)7-12(9-16-18)17(5)6/h7,9,15H,1,8,10H2,2-6H3
InChIKeyUIFDTDONXTXAKW-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.25
Rot. Bonds5

About 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one

2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one (PubChem CID 103073052) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one
PubChem CID103073052
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one
SMILESC=C(CNC(C)(C)C)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C14H24N4O/c1-11(8-15-14(2,3)4)10-18-13(19)7-12(9-16-18)17(5)6/h7,9,15H,1,8,10H2,2-6H3
InChIKeyUIFDTDONXTXAKW-UHFFFAOYSA-N
XLogP1.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.25
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-[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-[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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one (CID 103073052) is 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one is C=C(CNC(C)(C)C)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one?
The InChIKey is UIFDTDONXTXAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(8-15-14(2,3)4)10-18-13(19)7-12(9-16-18)17(5)6/h7,9,15H,1,8,10H2,2-6H3.
What are the key properties of 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one?
2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one has a molecular weight of 264.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 103073052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).