2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C16H23N3O2 — CID 102900113

IUPAC2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCC3(CCCC3)O1)CCNC2
InChIInChI=1S/C16H23N3O2/c20-15-9-12-10-17-8-4-14(12)18-19(15)11-13-3-7-16(21-13)5-1-2-6-16/h9,13,17H,1-8,10-11H2
InChIKeyUQXJKWCLSOVZKM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.38
Rot. Bonds2

About 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 102900113) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID102900113
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCC3(CCCC3)O1)CCNC2
InChIInChI=1S/C16H23N3O2/c20-15-9-12-10-17-8-4-14(12)18-19(15)11-13-3-7-16(21-13)5-1-2-6-16/h9,13,17H,1-8,10-11H2
InChIKeyUQXJKWCLSOVZKM-UHFFFAOYSA-N
XLogP1.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 102900113) is 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is O=c1cc2c(nn1CC1CCC3(CCCC3)O1)CCNC2.
What is the InChIKey of 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is UQXJKWCLSOVZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15-9-12-10-17-8-4-14(12)18-19(15)11-13-3-7-16(21-13)5-1-2-6-16/h9,13,17H,1-8,10-11H2.
What are the key properties of 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 289.38 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 102900113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).