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

C13H17N5O — CID 50968675

IUPAC4-[1-pyridin-2-yl-2-(1,2,4-triazol-4-yl)ethyl]morpholine
SMILESc1ccc(C(Cn2cnnc2)N2CCOCC2)nc1
InChIInChI=1S/C13H17N5O/c1-2-4-14-12(3-1)13(9-17-10-15-16-11-17)18-5-7-19-8-6-18/h1-4,10-11,13H,5-9H2
InChIKeyCJJYQRUGLOIVCE-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.75
Rot. Bonds4

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

4-[1-pyridin-2-yl-2-(1,2,4-triazol-4-yl)ethyl]morpholine (PubChem CID 50968675) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[1-pyridin-2-yl-2-(1,2,4-triazol-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[1-pyridin-2-yl-2-(1,2,4-triazol-4-yl)ethyl]morpholine
PubChem CID50968675
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-[1-pyridin-2-yl-2-(1,2,4-triazol-4-yl)ethyl]morpholine
SMILESc1ccc(C(Cn2cnnc2)N2CCOCC2)nc1
InChIInChI=1S/C13H17N5O/c1-2-4-14-12(3-1)13(9-17-10-15-16-11-17)18-5-7-19-8-6-18/h1-4,10-11,13H,5-9H2
InChIKeyCJJYQRUGLOIVCE-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-pyridin-2-yl-2-(1,2,4-triazol-4-yl)ethyl]morpholine?
The IUPAC name of 4-[1-pyridin-2-yl-2-(1,2,4-triazol-4-yl)ethyl]morpholine (CID 50968675) is 4-[1-pyridin-2-yl-2-(1,2,4-triazol-4-yl)ethyl]morpholine.
What is the SMILES notation for 4-[1-pyridin-2-yl-2-(1,2,4-triazol-4-yl)ethyl]morpholine?
The canonical SMILES for 4-[1-pyridin-2-yl-2-(1,2,4-triazol-4-yl)ethyl]morpholine is c1ccc(C(Cn2cnnc2)N2CCOCC2)nc1.
What is the InChIKey of 4-[1-pyridin-2-yl-2-(1,2,4-triazol-4-yl)ethyl]morpholine?
The InChIKey is CJJYQRUGLOIVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-4-14-12(3-1)13(9-17-10-15-16-11-17)18-5-7-19-8-6-18/h1-4,10-11,13H,5-9H2.
What are the key properties of 4-[1-pyridin-2-yl-2-(1,2,4-triazol-4-yl)ethyl]morpholine?
4-[1-pyridin-2-yl-2-(1,2,4-triazol-4-yl)ethyl]morpholine has a molecular weight of 259.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-pyridin-2-yl-2-(1,2,4-triazol-4-yl)ethyl]morpholine is sourced from PubChem (CID 50968675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).