4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine

C13H17N5O — CID 123707572

IUPAC4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine
SMILESc1ccc(-c2cn(CCN3CCOCC3)nn2)nc1
InChIInChI=1S/C13H17N5O/c1-2-4-14-12(3-1)13-11-18(16-15-13)6-5-17-7-9-19-10-8-17/h1-4,11H,5-10H2
InChIKeyUXJAJZPVOQPTGG-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.67
Rot. Bonds4

About 4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine

4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine (PubChem CID 123707572) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine
PubChem CID123707572
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine
SMILESc1ccc(-c2cn(CCN3CCOCC3)nn2)nc1
InChIInChI=1S/C13H17N5O/c1-2-4-14-12(3-1)13-11-18(16-15-13)6-5-17-7-9-19-10-8-17/h1-4,11H,5-10H2
InChIKeyUXJAJZPVOQPTGG-UHFFFAOYSA-N
XLogP0.67
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine (CID 123707572) is 4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine is c1ccc(-c2cn(CCN3CCOCC3)nn2)nc1.
What is the InChIKey of 4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine?
The InChIKey is UXJAJZPVOQPTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-4-14-12(3-1)13-11-18(16-15-13)6-5-17-7-9-19-10-8-17/h1-4,11H,5-10H2.
What are the key properties of 4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine?
4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine has a molecular weight of 259.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]morpholine is sourced from PubChem (CID 123707572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).