2-(4-ethyl-1,2,4-triazol-3-yl)morpholine

C8H14N4O — CID 62692797

IUPAC2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCn1cnnc1C1CNCCO1
InChIInChI=1S/C8H14N4O/c1-2-12-6-10-11-8(12)7-5-9-3-4-13-7/h6-7,9H,2-5H2,1H3
InChIKeyCEOKVHXXLGDCLM-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.04
Rot. Bonds2

About 2-(4-ethyl-1,2,4-triazol-3-yl)morpholine

2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 62692797) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
PubChem CID62692797
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCn1cnnc1C1CNCCO1
InChIInChI=1S/C8H14N4O/c1-2-12-6-10-11-8(12)7-5-9-3-4-13-7/h6-7,9H,2-5H2,1H3
InChIKeyCEOKVHXXLGDCLM-UHFFFAOYSA-N
XLogP-0.04
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (CID 62692797) is 2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is CCn1cnnc1C1CNCCO1.
What is the InChIKey of 2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is CEOKVHXXLGDCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-12-6-10-11-8(12)7-5-9-3-4-13-7/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
2-(4-ethyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 182.23 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 62692797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).