4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine

C14H22N4O — CID 75373830

IUPAC4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(C2CN(C3C=CCCC3)CCO2)n[nH]1
InChIInChI=1S/C14H22N4O/c1-2-13-15-14(17-16-13)12-10-18(8-9-19-12)11-6-4-3-5-7-11/h4,6,11-12H,2-3,5,7-10H2,1H3,(H,15,16,17)
InChIKeySYMPBAXSKPDJBF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.85
Rot. Bonds3

About 4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine

4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine (PubChem CID 75373830) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
PubChem CID75373830
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(C2CN(C3C=CCCC3)CCO2)n[nH]1
InChIInChI=1S/C14H22N4O/c1-2-13-15-14(17-16-13)12-10-18(8-9-19-12)11-6-4-3-5-7-11/h4,6,11-12H,2-3,5,7-10H2,1H3,(H,15,16,17)
InChIKeySYMPBAXSKPDJBF-UHFFFAOYSA-N
XLogP1.85
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine (CID 75373830) is 4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine is CCc1nc(C2CN(C3C=CCCC3)CCO2)n[nH]1.
What is the InChIKey of 4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The InChIKey is SYMPBAXSKPDJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-13-15-14(17-16-13)12-10-18(8-9-19-12)11-6-4-3-5-7-11/h4,6,11-12H,2-3,5,7-10H2,1H3,(H,15,16,17).
What are the key properties of 4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine has a molecular weight of 262.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 75373830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).