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

C12H14N4O — CID 55126780

IUPAC2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one
SMILESCCNc1ncccc1Cn1ncccc1=O
InChIInChI=1S/C12H14N4O/c1-2-13-12-10(5-3-7-14-12)9-16-11(17)6-4-8-15-16/h3-8H,2,9H2,1H3,(H,13,14)
InChIKeyIAWCDZBNGDUCKT-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.12
Rot. Bonds4

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

2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one (PubChem CID 55126780) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one
PubChem CID55126780
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one
SMILESCCNc1ncccc1Cn1ncccc1=O
InChIInChI=1S/C12H14N4O/c1-2-13-12-10(5-3-7-14-12)9-16-11(17)6-4-8-15-16/h3-8H,2,9H2,1H3,(H,13,14)
InChIKeyIAWCDZBNGDUCKT-UHFFFAOYSA-N
XLogP1.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397276
N-ethyl-3-(indazol-1-ylmethyl)pyridin-2-amine
CID 55075437
1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310127
2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one
CID 62850152
1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione
CID 62464538
3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
CID 62465248
1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one
CID 62880693
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 62850666
2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one
CID 62848745
3-[[2-(ethylamino)-3-pyridinyl]methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342729
4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one
CID 102892610

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one (CID 55126780) is 2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one is CCNc1ncccc1Cn1ncccc1=O.
What is the InChIKey of 2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one?
The InChIKey is IAWCDZBNGDUCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-13-12-10(5-3-7-14-12)9-16-11(17)6-4-8-15-16/h3-8H,2,9H2,1H3,(H,13,14).
What are the key properties of 2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one?
2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one has a molecular weight of 230.27 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one is sourced from PubChem (CID 55126780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).