4-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine

C15H19FN4OS — CID 1088720

IUPAC4-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1SCc1cccc(F)c1
InChIInChI=1S/C15H19FN4OS/c1-19-14(10-20-5-7-21-8-6-20)17-18-15(19)22-11-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10-11H2,1H3
InChIKeyUEPTWQYZSIJNNY-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.08
Rot. Bonds5

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

4-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 1088720) has the molecular formula C15H19FN4OS and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID1088720
Molecular FormulaC15H19FN4OS
Molecular Weight322.41 g/mol
Exact Mass322.13
IUPAC Name4-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1SCc1cccc(F)c1
InChIInChI=1S/C15H19FN4OS/c1-19-14(10-20-5-7-21-8-6-20)17-18-15(19)22-11-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10-11H2,1H3
InChIKeyUEPTWQYZSIJNNY-UHFFFAOYSA-N
XLogP2.08
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 1088720) is 4-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is Cn1c(CN2CCOCC2)nnc1SCc1cccc(F)c1.
What is the InChIKey of 4-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is UEPTWQYZSIJNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4OS/c1-19-14(10-20-5-7-21-8-6-20)17-18-15(19)22-11-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10-11H2,1H3.
What are the key properties of 4-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 322.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 1088720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).