ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one

C11H15N3O — CID 145188289

IUPACethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one
SMILESCC.CCc1ccc2c(=O)[nH]ncc2n1
InChIInChI=1S/C9H9N3O.C2H6/c1-2-6-3-4-7-8(11-6)5-10-12-9(7)13;1-2/h3-5H,2H2,1H3,(H,12,13);1-2H3
InChIKeyLPPSUPHLLOZLHO-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.91
Rot. Bonds1

About ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one

ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 145188289) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Nameethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one
PubChem CID145188289
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Nameethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one
SMILESCC.CCc1ccc2c(=O)[nH]ncc2n1
InChIInChI=1S/C9H9N3O.C2H6/c1-2-6-3-4-7-8(11-6)5-10-12-9(7)13;1-2/h3-5H,2H2,1H3,(H,12,13);1-2H3
InChIKeyLPPSUPHLLOZLHO-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6H-pyrimido[4,5-d]pyridazin-5-one
CID 175953367
2-hepta-2,4,6-trien-3-yloxy-6H-pyrido[2,3-d]pyridazin-5-one
CID 91407539
2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one
CID 175947397
2-pyridin-2-yl-6H-pyrimido[4,5-d]pyridazin-5-one
CID 71224282
2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid
CID 23342248
7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one
CID 130277190
2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one
CID 154521414
1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one
CID 141180271
2-ethyl-6H-pyrido[3,4-b]pyrazin-5-one
CID 149402131
7-ethyl-1H-1,8-naphthyridin-2-one
CID 23335413
2H-pyrido[3,4-d]pyridazin-1-one
CID 10909714
4-[[2-ethyl-6-(4-fluorophenyl)quinolin-5-yl]-hexadecylamino]-1H-pyridazin-6-one
CID 69020299

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one (CID 145188289) is ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one is CC.CCc1ccc2c(=O)[nH]ncc2n1.
What is the InChIKey of ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is LPPSUPHLLOZLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.C2H6/c1-2-6-3-4-7-8(11-6)5-10-12-9(7)13;1-2/h3-5H,2H2,1H3,(H,12,13);1-2H3.
What are the key properties of ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one?
ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 205.26 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 145188289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).