2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine

C18H24N4O — CID 128996126

IUPAC2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine
SMILESCCn1cnnc1C1CN(C/C(C)=C/c2ccccc2)CCO1
InChIInChI=1S/C18H24N4O/c1-3-22-14-19-20-18(22)17-13-21(9-10-23-17)12-15(2)11-16-7-5-4-6-8-16/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3/b15-11+
InChIKeyQAZGYEIYFGNPCV-RVDMUPIBSA-N
MW312.42 g/mol
LogP2.77
Rot. Bonds5

About 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine

2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine (PubChem CID 128996126) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine.

Molecular Properties

Compound Name2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine
PubChem CID128996126
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine
SMILESCCn1cnnc1C1CN(C/C(C)=C/c2ccccc2)CCO1
InChIInChI=1S/C18H24N4O/c1-3-22-14-19-20-18(22)17-13-21(9-10-23-17)12-15(2)11-16-7-5-4-6-8-16/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3/b15-11+
InChIKeyQAZGYEIYFGNPCV-RVDMUPIBSA-N
XLogP2.77
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine with MolForge

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Related Compounds

2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 129336394
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159
(1S)-2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(2-fluorophenyl)ethanol
CID 129331030
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine
CID 129342975
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
CID 129332140
5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile
CID 129340117
(1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol
CID 129333633
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 129340570
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone
CID 129332693
(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129338594
2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine
CID 126807770
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 128997862

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine?
The IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine (CID 128996126) is 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine.
What is the SMILES notation for 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine?
The canonical SMILES for 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine is CCn1cnnc1C1CN(C/C(C)=C/c2ccccc2)CCO1.
What is the InChIKey of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine?
The InChIKey is QAZGYEIYFGNPCV-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-22-14-19-20-18(22)17-13-21(9-10-23-17)12-15(2)11-16-7-5-4-6-8-16/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3/b15-11+.
What are the key properties of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine?
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine has a molecular weight of 312.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 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)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine is sourced from PubChem (CID 128996126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).