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

C10H16N4O — CID 81057162

IUPAC2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine
SMILESC1CCn2c(nnc2C2CNCCO2)C1
InChIInChI=1S/C10H16N4O/c1-2-5-14-9(3-1)12-13-10(14)8-7-11-4-6-15-8/h8,11H,1-7H2
InChIKeyCJUFXGGIBIAYEY-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.28
Rot. Bonds1

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

2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine (PubChem CID 81057162) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine
PubChem CID81057162
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine
SMILESC1CCn2c(nnc2C2CNCCO2)C1
InChIInChI=1S/C10H16N4O/c1-2-5-14-9(3-1)12-13-10(14)8-7-11-4-6-15-8/h8,11H,1-7H2
InChIKeyCJUFXGGIBIAYEY-UHFFFAOYSA-N
XLogP0.28
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine?
The IUPAC name of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine (CID 81057162) is 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine.
What is the SMILES notation for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine?
The canonical SMILES for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine is C1CCn2c(nnc2C2CNCCO2)C1.
What is the InChIKey of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine?
The InChIKey is CJUFXGGIBIAYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-5-14-9(3-1)12-13-10(14)8-7-11-4-6-15-8/h8,11H,1-7H2.
What are the key properties of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine?
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine has a molecular weight of 208.26 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine is sourced from PubChem (CID 81057162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).