5-anilino-6-methyl-2H-1,2,4-triazine-3-thione

C10H10N4S — CID 23412289

IUPAC5-anilino-6-methyl-2H-1,2,4-triazine-3-thione
SMILESCc1n[nH]c(=S)nc1Nc1ccccc1
InChIInChI=1S/C10H10N4S/c1-7-9(12-10(15)14-13-7)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,14,15)
InChIKeyZTWBQLATSBHFEY-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.59
Rot. Bonds2

About 5-anilino-6-methyl-2H-1,2,4-triazine-3-thione

5-anilino-6-methyl-2H-1,2,4-triazine-3-thione (PubChem CID 23412289) has the molecular formula C10H10N4S and a molecular weight of 218.29 g/mol. Its IUPAC name is 5-anilino-6-methyl-2H-1,2,4-triazine-3-thione.

Molecular Properties

Compound Name5-anilino-6-methyl-2H-1,2,4-triazine-3-thione
PubChem CID23412289
Molecular FormulaC10H10N4S
Molecular Weight218.29 g/mol
Exact Mass218.06
IUPAC Name5-anilino-6-methyl-2H-1,2,4-triazine-3-thione
SMILESCc1n[nH]c(=S)nc1Nc1ccccc1
InChIInChI=1S/C10H10N4S/c1-7-9(12-10(15)14-13-7)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,14,15)
InChIKeyZTWBQLATSBHFEY-UHFFFAOYSA-N
XLogP2.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-anilino-6-methyl-2H-1,2,4-triazine-3-thione?
The IUPAC name of 5-anilino-6-methyl-2H-1,2,4-triazine-3-thione (CID 23412289) is 5-anilino-6-methyl-2H-1,2,4-triazine-3-thione.
What is the SMILES notation for 5-anilino-6-methyl-2H-1,2,4-triazine-3-thione?
The canonical SMILES for 5-anilino-6-methyl-2H-1,2,4-triazine-3-thione is Cc1n[nH]c(=S)nc1Nc1ccccc1.
What is the InChIKey of 5-anilino-6-methyl-2H-1,2,4-triazine-3-thione?
The InChIKey is ZTWBQLATSBHFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c1-7-9(12-10(15)14-13-7)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,14,15).
What are the key properties of 5-anilino-6-methyl-2H-1,2,4-triazine-3-thione?
5-anilino-6-methyl-2H-1,2,4-triazine-3-thione has a molecular weight of 218.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-6-methyl-2H-1,2,4-triazine-3-thione is sourced from PubChem (CID 23412289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).