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

C9H13N3O — CID 59751917

IUPAC8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C9H13N3O/c1-2-7-8-6(4-3-5-10-8)9(13)12-11-7/h10H,2-5H2,1H3,(H,12,13)
InChIKeyXJJXQWQOCPCOOJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.69
Rot. Bonds1

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

8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 59751917) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID59751917
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C9H13N3O/c1-2-7-8-6(4-3-5-10-8)9(13)12-11-7/h10H,2-5H2,1H3,(H,12,13)
InChIKeyXJJXQWQOCPCOOJ-UHFFFAOYSA-N
XLogP0.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 59751917) is 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is CCc1n[nH]c(=O)c2c1NCCC2.
What is the InChIKey of 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is XJJXQWQOCPCOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-7-8-6(4-3-5-10-8)9(13)12-11-7/h10H,2-5H2,1H3,(H,12,13).
What are the key properties of 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 179.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 59751917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).