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

C16H28N4O — CID 103073093

IUPAC2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESC=C(CNC(C)(C)C)Cn1ncc(N(C)CCC)cc1=O
InChIInChI=1S/C16H28N4O/c1-7-8-19(6)14-9-15(21)20(18-11-14)12-13(2)10-17-16(3,4)5/h9,11,17H,2,7-8,10,12H2,1,3-6H3
InChIKeyLOQMTWWWPXXMTN-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.03
Rot. Bonds7

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

2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 103073093) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID103073093
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESC=C(CNC(C)(C)C)Cn1ncc(N(C)CCC)cc1=O
InChIInChI=1S/C16H28N4O/c1-7-8-19(6)14-9-15(21)20(18-11-14)12-13(2)10-17-16(3,4)5/h9,11,17H,2,7-8,10,12H2,1,3-6H3
InChIKeyLOQMTWWWPXXMTN-UHFFFAOYSA-N
XLogP2.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.03
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

5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073051
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate
CID 114394122
2-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404
2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397148
2-(3-chloro-2-hydroxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394399
3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal
CID 114396264
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 103223387
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114395128
2-[2-(chloromethyl)prop-2-enyl]-5-(diethylamino)pyridazin-3-one
CID 103065887
2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396977

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one (CID 103073093) is 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one is C=C(CNC(C)(C)C)Cn1ncc(N(C)CCC)cc1=O.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is LOQMTWWWPXXMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-7-8-19(6)14-9-15(21)20(18-11-14)12-13(2)10-17-16(3,4)5/h9,11,17H,2,7-8,10,12H2,1,3-6H3.
What are the key properties of 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one?
2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 292.43 g/mol, XLogP of 2.03, 7 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-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 103073093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).