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

C8H14N4OS — CID 64533262

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
SMILESCn1cnnc1SCC1CNCCO1
InChIInChI=1S/C8H14N4OS/c1-12-6-10-11-8(12)14-5-7-4-9-2-3-13-7/h6-7,9H,2-5H2,1H3
InChIKeyGTVOOJGGPOBNGX-UHFFFAOYSA-N
MW214.29 g/mol
LogP-0.10
Rot. Bonds3

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

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine (PubChem CID 64533262) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
PubChem CID64533262
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
SMILESCn1cnnc1SCC1CNCCO1
InChIInChI=1S/C8H14N4OS/c1-12-6-10-11-8(12)14-5-7-4-9-2-3-13-7/h6-7,9H,2-5H2,1H3
InChIKeyGTVOOJGGPOBNGX-UHFFFAOYSA-N
XLogP-0.10
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine
CID 64533467
(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 94552518
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 64533866
2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanylmethyl)morpholine
CID 64534065
2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 66433751
3-ethylsulfanyl-4-methyl-1,2,4-triazole
CID 5151328
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9378471
1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine
CID 141181346
4-(morpholin-2-ylmethylsulfanyl)benzonitrile
CID 123849693
2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine
CID 66429637
1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one
CID 107062212
2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine
CID 64535080

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine (CID 64533262) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine is Cn1cnnc1SCC1CNCCO1.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine?
The InChIKey is GTVOOJGGPOBNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-12-6-10-11-8(12)14-5-7-4-9-2-3-13-7/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine has a molecular weight of 214.29 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine is sourced from PubChem (CID 64533262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).