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

C13H25N3O — CID 162238996

IUPACethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCC.CC.CCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C9H13N3O.2C2H6/c1-2-7-8-6(4-3-5-10-8)9(13)12-11-7;2*1-2/h10H,2-5H2,1H3,(H,12,13);2*1-2H3
InChIKeyZWLILSYSSUGNCA-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.74
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 162238996) has the molecular formula C13H25N3O and a molecular weight of 239.36 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 CID162238996
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Nameethane;8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCC.CC.CCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C9H13N3O.2C2H6/c1-2-7-8-6(4-3-5-10-8)9(13)12-11-7;2*1-2/h10H,2-5H2,1H3,(H,12,13);2*1-2H3
InChIKeyZWLILSYSSUGNCA-UHFFFAOYSA-N
XLogP2.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H,2H,3H,4H,5H,6H-pyrido(2,3-d)pyridazin-5-one
CID 71743739
8-(2-piperidin-1-ylethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 10192850
6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5(6H)-one
CID 18918833
6-Tert-butyl-1,2,3,4-tetrahydropyrido[2,3-d]-pyridazin-5(6H)-one
CID 18918869
4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one
CID 23464669
4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751873
8-[2-(ethylamino)ethyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751875
N,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide
CID 59751877
N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]propanamide
CID 59751882
8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751889
N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 59751900
8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751901

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 162238996) 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.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 ZWLILSYSSUGNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.2C2H6/c1-2-7-8-6(4-3-5-10-8)9(13)12-11-7;2*1-2/h10H,2-5H2,1H3,(H,12,13);2*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 239.36 g/mol, XLogP of 2.74, 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 162238996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).