5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one

C15H26N4O — CID 103073085

IUPAC5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC(C)C)Cn1ncc(N(CC)CC)cc1=O
InChIInChI=1S/C15H26N4O/c1-6-18(7-2)14-8-15(20)19(17-10-14)11-13(5)9-16-12(3)4/h8,10,12,16H,5-7,9,11H2,1-4H3
InChIKeyZCKXTNBDNQXWSA-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.64
Rot. Bonds8

About 5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one

5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one (PubChem CID 103073085) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
PubChem CID103073085
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC(C)C)Cn1ncc(N(CC)CC)cc1=O
InChIInChI=1S/C15H26N4O/c1-6-18(7-2)14-8-15(20)19(17-10-14)11-13(5)9-16-12(3)4/h8,10,12,16H,5-7,9,11H2,1-4H3
InChIKeyZCKXTNBDNQXWSA-UHFFFAOYSA-N
XLogP1.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.64
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

N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 91924062
N-[1-(1-ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]-2,2-dimethylpropanamide
CID 91924064
2-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]propanamide
CID 110876544
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
CID 110876546
N-[1-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 110876547
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-methylpropanamide
CID 110876550
N~1~-[1-(1-Ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide
CID 110876551
4-(Aminomethyl)-5-(ethylamino)-2-methylpyridazin-3(2h)-one
CID 46848463
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

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one (CID 103073085) is 5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one is C=C(CNC(C)C)Cn1ncc(N(CC)CC)cc1=O.
What is the InChIKey of 5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
The InChIKey is ZCKXTNBDNQXWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-6-18(7-2)14-8-15(20)19(17-10-14)11-13(5)9-16-12(3)4/h8,10,12,16H,5-7,9,11H2,1-4H3.
What are the key properties of 5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one has a molecular weight of 278.40 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103073085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).