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

C15H24N4O — CID 103073096

IUPAC2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESC=C(CNC1CC1)Cn1ncc(N(C)CCC)cc1=O
InChIInChI=1S/C15H24N4O/c1-4-7-18(3)14-8-15(20)19(17-10-14)11-12(2)9-16-13-5-6-13/h8,10,13,16H,2,4-7,9,11H2,1,3H3
InChIKeyQFHACDWXJOYOFS-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.40
Rot. Bonds8

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

2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 103073096) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID103073096
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESC=C(CNC1CC1)Cn1ncc(N(C)CCC)cc1=O
InChIInChI=1S/C15H24N4O/c1-4-7-18(3)14-8-15(20)19(17-10-14)11-12(2)9-16-13-5-6-13/h8,10,13,16H,2,4-7,9,11H2,1,3H3
InChIKeyQFHACDWXJOYOFS-UHFFFAOYSA-N
XLogP1.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.40
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-[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
4-Methanimidoyl-5-(methylamino)-2-prop-2-enylpyridazin-3-one
CID 156187890
5-(3-{[(1-ethylpropyl)amino]methyl}-1-pyrrolidinyl)-2-methyl-3(2H)-pyridazinone
CID 70720970
5-(Cyclopropylamino)-2-methylpyridazin-3-one
CID 84075865
N~1~-{1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-4-piperidyl}-2-methylpropanamide
CID 91924070
2-methyl-5-[(3S)-3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one
CID 96373758
2-methyl-5-[(3R)-3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one
CID 96373760
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-[(cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one (CID 103073096) is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one is C=C(CNC1CC1)Cn1ncc(N(C)CCC)cc1=O.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is QFHACDWXJOYOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-7-18(3)14-8-15(20)19(17-10-14)11-12(2)9-16-13-5-6-13/h8,10,13,16H,2,4-7,9,11H2,1,3H3.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one?
2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 276.38 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 103073096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).