5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one

C15H23N3O2 — CID 103218772

IUPAC5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one
SMILESCNc1cnn(CC2CCC3(CCCCC3)O2)c(=O)c1
InChIInChI=1S/C15H23N3O2/c1-16-12-9-14(19)18(17-10-12)11-13-5-8-15(20-13)6-3-2-4-7-15/h9-10,13,16H,2-8,11H2,1H3
InChIKeyHWDWRZQGBDJWFJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.17
Rot. Bonds3

About 5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one

5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one (PubChem CID 103218772) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one
PubChem CID103218772
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one
SMILESCNc1cnn(CC2CCC3(CCCCC3)O2)c(=O)c1
InChIInChI=1S/C15H23N3O2/c1-16-12-9-14(19)18(17-10-12)11-13-5-8-15(20-13)6-3-2-4-7-15/h9-10,13,16H,2-8,11H2,1H3
InChIKeyHWDWRZQGBDJWFJ-UHFFFAOYSA-N
XLogP2.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one (CID 103218772) is 5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one is CNc1cnn(CC2CCC3(CCCCC3)O2)c(=O)c1.
What is the InChIKey of 5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one?
The InChIKey is HWDWRZQGBDJWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-16-12-9-14(19)18(17-10-12)11-13-5-8-15(20-13)6-3-2-4-7-15/h9-10,13,16H,2-8,11H2,1H3.
What are the key properties of 5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one?
5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103218772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).