4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine

C15H19ClN4OS — CID 650655

IUPAC4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
SMILESCc1nnc(SCCN2CCOCC2)n1-c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN4OS/c1-12-17-18-15(20(12)14-4-2-3-13(16)11-14)22-10-7-19-5-8-21-9-6-19/h2-4,11H,5-10H2,1H3
InChIKeyVNZOJBZIWGRYHJ-UHFFFAOYSA-N
MW338.86 g/mol
LogP2.65
Rot. Bonds5

About 4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine

4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine (PubChem CID 650655) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is 4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
PubChem CID650655
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC Name4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
SMILESCc1nnc(SCCN2CCOCC2)n1-c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN4OS/c1-12-17-18-15(20(12)14-4-2-3-13(16)11-14)22-10-7-19-5-8-21-9-6-19/h2-4,11H,5-10H2,1H3
InChIKeyVNZOJBZIWGRYHJ-UHFFFAOYSA-N
XLogP2.65
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine (CID 650655) is 4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine is Cc1nnc(SCCN2CCOCC2)n1-c1cccc(Cl)c1.
What is the InChIKey of 4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?
The InChIKey is VNZOJBZIWGRYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4OS/c1-12-17-18-15(20(12)14-4-2-3-13(16)11-14)22-10-7-19-5-8-21-9-6-19/h2-4,11H,5-10H2,1H3.
What are the key properties of 4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?
4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine has a molecular weight of 338.86 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine is sourced from PubChem (CID 650655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).