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

C11H18N4O — CID 81057417

IUPAC3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine
SMILESC1CCn2c(nnc2CC2COCCN2)C1
InChIInChI=1S/C11H18N4O/c1-2-5-15-10(3-1)13-14-11(15)7-9-8-16-6-4-12-9/h9,12H,1-8H2
InChIKeyIOXGGCFAOZDLCI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.15
Rot. Bonds2

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

3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine (PubChem CID 81057417) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine
PubChem CID81057417
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine
SMILESC1CCn2c(nnc2CC2COCCN2)C1
InChIInChI=1S/C11H18N4O/c1-2-5-15-10(3-1)13-14-11(15)7-9-8-16-6-4-12-9/h9,12H,1-8H2
InChIKeyIOXGGCFAOZDLCI-UHFFFAOYSA-N
XLogP0.15
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine?
The IUPAC name of 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine (CID 81057417) is 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine.
What is the SMILES notation for 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine?
The canonical SMILES for 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine is C1CCn2c(nnc2CC2COCCN2)C1.
What is the InChIKey of 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine?
The InChIKey is IOXGGCFAOZDLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-5-15-10(3-1)13-14-11(15)7-9-8-16-6-4-12-9/h9,12H,1-8H2.
What are the key properties of 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine?
3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine has a molecular weight of 222.29 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine is sourced from PubChem (CID 81057417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).