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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Related Compounds

2-(4-Methyl-5-morpholin-4-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1089226
2-[4-(3-Methoxy-propyl)-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-morpholin-4-yl-ethanone
CID 656245
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 803118
2-(4-Methyl-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 1451285
2-(5-Isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 1451359
4-[2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine;ethanedioic acid
CID 651785
Morpholine, 4-[[4-methyl-5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-
CID 5302754
[4-Ethyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 55206206
2-[(4-Ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1451286
1-[[5-Methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
CID 3228145
2-[[4-(2-Methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
CID 3228158
4-[(5-Ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 18726740

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).