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

C14H22N4O — CID 103073080

IUPAC2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESC=C(CNC1CC1)Cn1ncc(N(C)CC)cc1=O
InChIInChI=1S/C14H22N4O/c1-4-17(3)13-7-14(19)18(16-9-13)10-11(2)8-15-12-5-6-12/h7,9,12,15H,2,4-6,8,10H2,1,3H3
InChIKeyZFNUSNFZTICXHD-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.01
Rot. Bonds7

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

2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 103073080) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID103073080
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESC=C(CNC1CC1)Cn1ncc(N(C)CC)cc1=O
InChIInChI=1S/C14H22N4O/c1-4-17(3)13-7-14(19)18(16-9-13)10-11(2)8-15-12-5-6-12/h7,9,12,15H,2,4-6,8,10H2,1,3H3
InChIKeyZFNUSNFZTICXHD-UHFFFAOYSA-N
XLogP1.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.01
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-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 103073080) is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one is C=C(CNC1CC1)Cn1ncc(N(C)CC)cc1=O.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is ZFNUSNFZTICXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-17(3)13-7-14(19)18(16-9-13)10-11(2)8-15-12-5-6-12/h7,9,12,15H,2,4-6,8,10H2,1,3H3.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 262.36 g/mol, XLogP of 1.01, 7 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-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 103073080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).