ethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

C11H19N3O — CID 91500972

IUPACethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCC.CCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C9H13N3O.C2H6/c1-2-7-8-6(4-3-5-10-8)9(13)12-11-7;1-2/h10H,2-5H2,1H3,(H,12,13);1-2H3
InChIKeyNDALOGWCEABRHT-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.72
Rot. Bonds1

About ethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

ethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 91500972) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is ethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Nameethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID91500972
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Nameethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCC.CCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C9H13N3O.C2H6/c1-2-7-8-6(4-3-5-10-8)9(13)12-11-7;1-2/h10H,2-5H2,1H3,(H,12,13);1-2H3
InChIKeyNDALOGWCEABRHT-UHFFFAOYSA-N
XLogP1.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of ethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 91500972) is ethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for ethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for ethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is CC.CCc1n[nH]c(=O)c2c1NCCC2.
What is the InChIKey of ethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is NDALOGWCEABRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.C2H6/c1-2-7-8-6(4-3-5-10-8)9(13)12-11-7;1-2/h10H,2-5H2,1H3,(H,12,13);1-2H3.
What are the key properties of ethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
ethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 209.29 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 91500972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).