6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one

C10H16N4O2S — CID 136687665

IUPAC6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one
SMILESCc1nnc(SCCN2CCOCC2)[nH]c1=O
InChIInChI=1S/C10H16N4O2S/c1-8-9(15)11-10(13-12-8)17-7-4-14-2-5-16-6-3-14/h2-7H2,1H3,(H,11,13,15)
InChIKeyMZYIUHKDWJKUIE-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.10
Rot. Bonds4

About 6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one

6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one (PubChem CID 136687665) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one
PubChem CID136687665
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one
SMILESCc1nnc(SCCN2CCOCC2)[nH]c1=O
InChIInChI=1S/C10H16N4O2S/c1-8-9(15)11-10(13-12-8)17-7-4-14-2-5-16-6-3-14/h2-7H2,1H3,(H,11,13,15)
InChIKeyMZYIUHKDWJKUIE-UHFFFAOYSA-N
XLogP-0.10
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-morpholin-4-ylethylsulfanyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136685455
6-methyl-3-propylsulfanyl-4H-1,2,4-triazin-5-one
CID 135453711
4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride
CID 53314666
1-methyl-8-(2-morpholin-4-ylethylsulfanyl)-3,7-dihydropurine-2,6-dione
CID 155185374
2-(2-morpholin-4-ylethylsulfanyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 29460942
6-[(2-methylphenyl)methyl]-3-(2-pyrrolidin-1-ylethylsulfanyl)-4H-1,2,4-triazin-5-one
CID 135878264
6-methyl-3-(2-phenylethylsulfanyl)-4H-1,2,4-triazin-5-one
CID 135399067
4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
(5R)-5-(4-chlorophenyl)-8,8-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinoline-4,6-dione
CID 136727475
N-[4-amino-2-(2-morpholin-4-ylethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]-2-fluorobenzamide
CID 135700680
N-[4-amino-2-(2-morpholin-4-ylethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide
CID 135701070
[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63315585

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one (CID 136687665) is 6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one is Cc1nnc(SCCN2CCOCC2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one?
The InChIKey is MZYIUHKDWJKUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-8-9(15)11-10(13-12-8)17-7-4-14-2-5-16-6-3-14/h2-7H2,1H3,(H,11,13,15).
What are the key properties of 6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one?
6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one has a molecular weight of 256.33 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136687665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).