2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine

C11H18N4O — CID 81252024

IUPAC2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine
SMILESCC1CCn2c(nnc2C2CNCCO2)C1
InChIInChI=1S/C11H18N4O/c1-8-2-4-15-10(6-8)13-14-11(15)9-7-12-3-5-16-9/h8-9,12H,2-7H2,1H3
InChIKeyDLIJKJMCQXPJSY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.52
Rot. Bonds1

About 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine

2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine (PubChem CID 81252024) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine.

Molecular Properties

Compound Name2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine
PubChem CID81252024
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine
SMILESCC1CCn2c(nnc2C2CNCCO2)C1
InChIInChI=1S/C11H18N4O/c1-8-2-4-15-10(6-8)13-14-11(15)9-7-12-3-5-16-9/h8-9,12H,2-7H2,1H3
InChIKeyDLIJKJMCQXPJSY-UHFFFAOYSA-N
XLogP0.52
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine?
The IUPAC name of 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine (CID 81252024) is 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine.
What is the SMILES notation for 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine?
The canonical SMILES for 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine is CC1CCn2c(nnc2C2CNCCO2)C1.
What is the InChIKey of 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine?
The InChIKey is DLIJKJMCQXPJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-2-4-15-10(6-8)13-14-11(15)9-7-12-3-5-16-9/h8-9,12H,2-7H2,1H3.
What are the key properties of 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine?
2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine has a molecular weight of 222.29 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine is sourced from PubChem (CID 81252024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).