4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine

C13H22N4O — CID 117155865

IUPAC4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine
SMILESCC1CCCc2nc(CCN3CCOCC3)nn21
InChIInChI=1S/C13H22N4O/c1-11-3-2-4-13-14-12(15-17(11)13)5-6-16-7-9-18-10-8-16/h11H,2-10H2,1H3
InChIKeyOYLXYLSLYDRSNA-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.05
Rot. Bonds3

About 4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine

4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine (PubChem CID 117155865) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine
PubChem CID117155865
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine
SMILESCC1CCCc2nc(CCN3CCOCC3)nn21
InChIInChI=1S/C13H22N4O/c1-11-3-2-4-13-14-12(15-17(11)13)5-6-16-7-9-18-10-8-16/h11H,2-10H2,1H3
InChIKeyOYLXYLSLYDRSNA-UHFFFAOYSA-N
XLogP1.05
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine (CID 117155865) is 4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine is CC1CCCc2nc(CCN3CCOCC3)nn21.
What is the InChIKey of 4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine?
The InChIKey is OYLXYLSLYDRSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-3-2-4-13-14-12(15-17(11)13)5-6-16-7-9-18-10-8-16/h11H,2-10H2,1H3.
What are the key properties of 4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine?
4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine has a molecular weight of 250.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]morpholine is sourced from PubChem (CID 117155865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).