4-[2-(2H-triazol-4-yl)ethyl]morpholine

C8H14N4O — CID 54167756

IUPAC4-[2-(2H-triazol-4-yl)ethyl]morpholine
SMILESc1n[nH]nc1CCN1CCOCC1
InChIInChI=1S/C8H14N4O/c1(8-7-9-11-10-8)2-12-3-5-13-6-4-12/h7H,1-6H2,(H,9,10,11)
InChIKeyYOZYCJDRNHUSRW-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.32
Rot. Bonds3

About 4-[2-(2H-triazol-4-yl)ethyl]morpholine

4-[2-(2H-triazol-4-yl)ethyl]morpholine (PubChem CID 54167756) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-[2-(2H-triazol-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2H-triazol-4-yl)ethyl]morpholine
PubChem CID54167756
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-[2-(2H-triazol-4-yl)ethyl]morpholine
SMILESc1n[nH]nc1CCN1CCOCC1
InChIInChI=1S/C8H14N4O/c1(8-7-9-11-10-8)2-12-3-5-13-6-4-12/h7H,1-6H2,(H,9,10,11)
InChIKeyYOZYCJDRNHUSRW-UHFFFAOYSA-N
XLogP-0.32
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2H-triazol-4-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(2H-triazol-4-yl)ethyl]morpholine (CID 54167756) is 4-[2-(2H-triazol-4-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2H-triazol-4-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(2H-triazol-4-yl)ethyl]morpholine is c1n[nH]nc1CCN1CCOCC1.
What is the InChIKey of 4-[2-(2H-triazol-4-yl)ethyl]morpholine?
The InChIKey is YOZYCJDRNHUSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1(8-7-9-11-10-8)2-12-3-5-13-6-4-12/h7H,1-6H2,(H,9,10,11).
What are the key properties of 4-[2-(2H-triazol-4-yl)ethyl]morpholine?
4-[2-(2H-triazol-4-yl)ethyl]morpholine has a molecular weight of 182.23 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2H-triazol-4-yl)ethyl]morpholine is sourced from PubChem (CID 54167756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).