6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one

C10H10N4OS — CID 135407499

IUPAC6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one
SMILESCSc1nnc(-c2ccccc2N)c(=O)[nH]1
InChIInChI=1S/C10H10N4OS/c1-16-10-12-9(15)8(13-14-10)6-4-2-3-5-7(6)11/h2-5H,11H2,1H3,(H,12,14,15)
InChIKeyDZMXAKSUCUWJAU-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.14
Rot. Bonds2

About 6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one

6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one (PubChem CID 135407499) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one
PubChem CID135407499
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one
SMILESCSc1nnc(-c2ccccc2N)c(=O)[nH]1
InChIInChI=1S/C10H10N4OS/c1-16-10-12-9(15)8(13-14-10)6-4-2-3-5-7(6)11/h2-5H,11H2,1H3,(H,12,14,15)
InChIKeyDZMXAKSUCUWJAU-UHFFFAOYSA-N
XLogP1.14
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-{2-[5-Hydroxy-3-(pentylsulfanyl)-1,2,4-triazin-6-YL]phenyl}acetamide
CID 135460602
N-{2-[3-(allylthio)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}propanamide
CID 135406746
N-{2-[5-hydroxy-3-(methylsulfanyl)-1,2,4-triazin-6-yl]phenyl}butanamide
CID 135427605
6-(2-Aminophenyl)-3-(propylthio)-1,2,4-triazin-5(4H)-one
CID 135449242
3-(Allylthio)-6-(2-amino-5-bromophenyl)-1,2,4-triazin-5-ol
CID 135504546
3-(Methylsulfanyl)-6-phenyl-1,2,4-triazin-5(2H)-one
CID 135450607
N-{2-[3-(ethylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}propanamide
CID 135428287
6-(2-Aminophenyl)-3-[(4-methylbenzyl)thio]-1,2,4-triazin-5-ol
CID 135431162
N-{2-[3-(ethylthio)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}acetamide
CID 135467358
6-(2-aminophenyl)-3-(ethylthio)-1,2,4-triazin-5(4H)-one
CID 135470833
6-(2-Aminophenyl)-3-(heptylthio)-1,2,4-triazin-5-ol
CID 135472747
6-(2-aminophenyl)-3-(pentylsulfanyl)-1,2,4-triazin-5(2H)-one
CID 135478952

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one (CID 135407499) is 6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one is CSc1nnc(-c2ccccc2N)c(=O)[nH]1.
What is the InChIKey of 6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one?
The InChIKey is DZMXAKSUCUWJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-16-10-12-9(15)8(13-14-10)6-4-2-3-5-7(6)11/h2-5H,11H2,1H3,(H,12,14,15).
What are the key properties of 6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one?
6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one has a molecular weight of 234.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135407499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).