3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine

C13H19N5O2 — CID 166308240

IUPAC3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine
SMILESCOCCC1COCCN1Cc1nnc2cccnn12
InChIInChI=1S/C13H19N5O2/c1-19-7-4-11-10-20-8-6-17(11)9-13-16-15-12-3-2-5-14-18(12)13/h2-3,5,11H,4,6-10H2,1H3
InChIKeyYDWRHMHHZMABMA-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.36
Rot. Bonds5

About 3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine

3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine (PubChem CID 166308240) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine
PubChem CID166308240
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine
SMILESCOCCC1COCCN1Cc1nnc2cccnn12
InChIInChI=1S/C13H19N5O2/c1-19-7-4-11-10-20-8-6-17(11)9-13-16-15-12-3-2-5-14-18(12)13/h2-3,5,11H,4,6-10H2,1H3
InChIKeyYDWRHMHHZMABMA-UHFFFAOYSA-N
XLogP0.36
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine?
The IUPAC name of 3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine (CID 166308240) is 3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine.
What is the SMILES notation for 3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine?
The canonical SMILES for 3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine is COCCC1COCCN1Cc1nnc2cccnn12.
What is the InChIKey of 3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine?
The InChIKey is YDWRHMHHZMABMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-19-7-4-11-10-20-8-6-17(11)9-13-16-15-12-3-2-5-14-18(12)13/h2-3,5,11H,4,6-10H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine?
3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine has a molecular weight of 277.33 g/mol, XLogP of 0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine is sourced from PubChem (CID 166308240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).