2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C15H17N3O2 — CID 63254027

IUPAC2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCOc1ccccc1)CCNC2
InChIInChI=1S/C15H17N3O2/c19-15-10-12-11-16-7-6-14(12)17-18(15)8-9-20-13-4-2-1-3-5-13/h1-5,10,16H,6-9,11H2
InChIKeyUXBTWRJXSPVWAO-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.97
Rot. Bonds4

About 2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 63254027) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID63254027
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCOc1ccccc1)CCNC2
InChIInChI=1S/C15H17N3O2/c19-15-10-12-11-16-7-6-14(12)17-18(15)8-9-20-13-4-2-1-3-5-13/h1-5,10,16H,6-9,11H2
InChIKeyUXBTWRJXSPVWAO-UHFFFAOYSA-N
XLogP0.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 63254027) is 2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is O=c1cc2c(nn1CCOc1ccccc1)CCNC2.
What is the InChIKey of 2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is UXBTWRJXSPVWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15-10-12-11-16-7-6-14(12)17-18(15)8-9-20-13-4-2-1-3-5-13/h1-5,10,16H,6-9,11H2.
What are the key properties of 2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 271.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 63254027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).