2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one

C15H21N5O — CID 114397276

IUPAC2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCNc1ncccc1Cn1ncc(N(C)CC)cc1=O
InChIInChI=1S/C15H21N5O/c1-4-16-15-12(7-6-8-17-15)11-20-14(21)9-13(10-18-20)19(3)5-2/h6-10H,4-5,11H2,1-3H3,(H,16,17)
InChIKeyODDZBIHVGBKNGQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.57
Rot. Bonds6

About 2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one

2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114397276) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114397276
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCNc1ncccc1Cn1ncc(N(C)CC)cc1=O
InChIInChI=1S/C15H21N5O/c1-4-16-15-12(7-6-8-17-15)11-20-14(21)9-13(10-18-20)19(3)5-2/h6-10H,4-5,11H2,1-3H3,(H,16,17)
InChIKeyODDZBIHVGBKNGQ-UHFFFAOYSA-N
XLogP1.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one
CID 55126780
3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile
CID 103223517
N-ethyl-3-(indazol-1-ylmethyl)pyridin-2-amine
CID 55075437
2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114396929
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393589
5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one
CID 103057777
2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393582
5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one
CID 103061659
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 114394819
3-(diethylaminomethyl)-N-ethylpyridin-2-amine
CID 62471645

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114397276) is 2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCNc1ncccc1Cn1ncc(N(C)CC)cc1=O.
What is the InChIKey of 2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is ODDZBIHVGBKNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-16-15-12(7-6-8-17-15)11-20-14(21)9-13(10-18-20)19(3)5-2/h6-10H,4-5,11H2,1-3H3,(H,16,17).
What are the key properties of 2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 287.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114397276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).