[4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine

C12H12N8S — CID 80925315

IUPAC[4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCc1ccc(Sc2nc(NN)nc(-n3cncn3)n2)cc1
InChIInChI=1S/C12H12N8S/c1-8-2-4-9(5-3-8)21-12-17-10(19-13)16-11(18-12)20-7-14-6-15-20/h2-7H,13H2,1H3,(H,16,17,18,19)
InChIKeyIYGIQNLUIGRPAI-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.20
Rot. Bonds4

About [4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine

[4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80925315) has the molecular formula C12H12N8S and a molecular weight of 300.35 g/mol. Its IUPAC name is [4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80925315
Molecular FormulaC12H12N8S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name[4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCc1ccc(Sc2nc(NN)nc(-n3cncn3)n2)cc1
InChIInChI=1S/C12H12N8S/c1-8-2-4-9(5-3-8)21-12-17-10(19-13)16-11(18-12)20-7-14-6-15-20/h2-7H,13H2,1H3,(H,16,17,18,19)
InChIKeyIYGIQNLUIGRPAI-UHFFFAOYSA-N
XLogP1.20
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(3-chlorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80924310
[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80929997
methyl 3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]propanoate
CID 80923175
[4-(4,5-dimethylimidazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80900370
N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80882673
4-hydrazinyl-N-(2-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80919626
2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62866348
2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62867733
[4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80912010
4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 113488474
[4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80906283
N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80918885

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine (CID 80925315) is [4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine is Cc1ccc(Sc2nc(NN)nc(-n3cncn3)n2)cc1.
What is the InChIKey of [4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is IYGIQNLUIGRPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N8S/c1-8-2-4-9(5-3-8)21-12-17-10(19-13)16-11(18-12)20-7-14-6-15-20/h2-7H,13H2,1H3,(H,16,17,18,19).
What are the key properties of [4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
[4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 300.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80925315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).