4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine

C19H26N4OS — CID 45367641

IUPAC4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
SMILESC=CCn1c(CCc2ccccc2)nnc1SCCN1CCOCC1
InChIInChI=1S/C19H26N4OS/c1-2-10-23-18(9-8-17-6-4-3-5-7-17)20-21-19(23)25-16-13-22-11-14-24-15-12-22/h2-7H,1,8-16H2
InChIKeyVSKSOYMUNOVBDT-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.67
Rot. Bonds9

About 4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine

4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine (PubChem CID 45367641) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
PubChem CID45367641
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
SMILESC=CCn1c(CCc2ccccc2)nnc1SCCN1CCOCC1
InChIInChI=1S/C19H26N4OS/c1-2-10-23-18(9-8-17-6-4-3-5-7-17)20-21-19(23)25-16-13-22-11-14-24-15-12-22/h2-7H,1,8-16H2
InChIKeyVSKSOYMUNOVBDT-UHFFFAOYSA-N
XLogP2.67
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine with MolForge

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Related Compounds

2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 53263246
4-[2-[3-(4-fluorophenyl)-5-(2-phenylethylsulfanyl)-1,2,4-triazol-4-yl]ethyl]morpholine
CID 60601853
3-(2-phenylethyl)-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 17384031
N-(2,6-diethylphenyl)-2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17303047
4-[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 30334149
4-[2-[[4-benzyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine;oxalic acid
CID 171667825
4-[2-[[4-benzyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 26337294
4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide
CID 2947873
methane;4-(2-phenylethyl)morpholine
CID 143698819
N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide
CID 26396980
2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 838604
4-[2-[[4-benzyl-5-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 26275280

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine (CID 45367641) is 4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine is C=CCn1c(CCc2ccccc2)nnc1SCCN1CCOCC1.
What is the InChIKey of 4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?
The InChIKey is VSKSOYMUNOVBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-2-10-23-18(9-8-17-6-4-3-5-7-17)20-21-19(23)25-16-13-22-11-14-24-15-12-22/h2-7H,1,8-16H2.
What are the key properties of 4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?
4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine has a molecular weight of 358.51 g/mol, XLogP of 2.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-(2-phenylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine is sourced from PubChem (CID 45367641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).