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

C11H20N4OS — CID 2201244

IUPAC4-[(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCCCSc1nnc(CN2CCOCC2)n1C
InChIInChI=1S/C11H20N4OS/c1-3-8-17-11-13-12-10(14(11)2)9-15-4-6-16-7-5-15/h3-9H2,1-2H3
InChIKeyPPKBHBYMQVUYAM-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.15
Rot. Bonds5

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

4-[(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine (PubChem CID 2201244) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-[(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine
PubChem CID2201244
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name4-[(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCCCSc1nnc(CN2CCOCC2)n1C
InChIInChI=1S/C11H20N4OS/c1-3-8-17-11-13-12-10(14(11)2)9-15-4-6-16-7-5-15/h3-9H2,1-2H3
InChIKeyPPKBHBYMQVUYAM-UHFFFAOYSA-N
XLogP1.15
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine?
The IUPAC name of 4-[(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine (CID 2201244) is 4-[(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine is CCCSc1nnc(CN2CCOCC2)n1C.
What is the InChIKey of 4-[(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine?
The InChIKey is PPKBHBYMQVUYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-3-8-17-11-13-12-10(14(11)2)9-15-4-6-16-7-5-15/h3-9H2,1-2H3.
What are the key properties of 4-[(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine?
4-[(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine has a molecular weight of 256.37 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine is sourced from PubChem (CID 2201244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).