4-[(1-ethyltriazol-4-yl)methyl]morpholine

C9H16N4O — CID 171649254

IUPAC4-[(1-ethyltriazol-4-yl)methyl]morpholine
SMILESCCn1cc(CN2CCOCC2)nn1
InChIInChI=1S/C9H16N4O/c1-2-13-8-9(10-11-13)7-12-3-5-14-6-4-12/h8H,2-7H2,1H3
InChIKeyUFILMFURNOBYEV-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.13
Rot. Bonds3

About 4-[(1-ethyltriazol-4-yl)methyl]morpholine

4-[(1-ethyltriazol-4-yl)methyl]morpholine (PubChem CID 171649254) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[(1-ethyltriazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-ethyltriazol-4-yl)methyl]morpholine
PubChem CID171649254
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-[(1-ethyltriazol-4-yl)methyl]morpholine
SMILESCCn1cc(CN2CCOCC2)nn1
InChIInChI=1S/C9H16N4O/c1-2-13-8-9(10-11-13)7-12-3-5-14-6-4-12/h8H,2-7H2,1H3
InChIKeyUFILMFURNOBYEV-UHFFFAOYSA-N
XLogP0.13
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyltriazol-4-yl)methyl]morpholine?
The IUPAC name of 4-[(1-ethyltriazol-4-yl)methyl]morpholine (CID 171649254) is 4-[(1-ethyltriazol-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1-ethyltriazol-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(1-ethyltriazol-4-yl)methyl]morpholine is CCn1cc(CN2CCOCC2)nn1.
What is the InChIKey of 4-[(1-ethyltriazol-4-yl)methyl]morpholine?
The InChIKey is UFILMFURNOBYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-13-8-9(10-11-13)7-12-3-5-14-6-4-12/h8H,2-7H2,1H3.
What are the key properties of 4-[(1-ethyltriazol-4-yl)methyl]morpholine?
4-[(1-ethyltriazol-4-yl)methyl]morpholine has a molecular weight of 196.25 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyltriazol-4-yl)methyl]morpholine is sourced from PubChem (CID 171649254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).