4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine

C15H24N4O — CID 72839070

IUPAC4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine
SMILESCn1nc(/C=C/C2CCCCC2)nc1N1CCOCC1
InChIInChI=1S/C15H24N4O/c1-18-15(19-9-11-20-12-10-19)16-14(17-18)8-7-13-5-3-2-4-6-13/h7-8,13H,2-6,9-12H2,1H3/b8-7+
InChIKeyOWBUMYBSTBYNES-BQYQJAHWSA-N
MW276.38 g/mol
LogP2.25
Rot. Bonds3

About 4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine

4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine (PubChem CID 72839070) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine
PubChem CID72839070
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine
SMILESCn1nc(/C=C/C2CCCCC2)nc1N1CCOCC1
InChIInChI=1S/C15H24N4O/c1-18-15(19-9-11-20-12-10-19)16-14(17-18)8-7-13-5-3-2-4-6-13/h7-8,13H,2-6,9-12H2,1H3/b8-7+
InChIKeyOWBUMYBSTBYNES-BQYQJAHWSA-N
XLogP2.25
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-Cyclohexylethenyl)-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 91939957
3-[(E)-2-cyclohexylvinyl]-1-ethyl-N,N-dimethyl-1H-1,2,4-triazol-5-amine
CID 121494617
1-{3-[(E)-2-cyclohexylvinyl]-1-methyl-1H-1,2,4-triazol-5-yl}piperidine
CID 121497083
5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine
CID 171134455
1-[5-(2-Cyclohexylethenyl)-2-methyl-1,2,4-triazol-3-yl]piperidine
CID 171134562

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine (CID 72839070) is 4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine is Cn1nc(/C=C/C2CCCCC2)nc1N1CCOCC1.
What is the InChIKey of 4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine?
The InChIKey is OWBUMYBSTBYNES-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-15(19-9-11-20-12-10-19)16-14(17-18)8-7-13-5-3-2-4-6-13/h7-8,13H,2-6,9-12H2,1H3/b8-7+.
What are the key properties of 4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine?
4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine has a molecular weight of 276.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 72839070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).