4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C9H8N8S2 — CID 80894397

IUPAC4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1nsc(Sc2nc(N)nc(-n3cccn3)n2)n1
InChIInChI=1S/C9H8N8S2/c1-5-12-9(19-16-5)18-8-14-6(10)13-7(15-8)17-4-2-3-11-17/h2-4H,1H3,(H2,10,13,14,15)
InChIKeyFOPHTKGBVKZKDR-UHFFFAOYSA-N
MW292.35 g/mol
LogP0.95
Rot. Bonds3

About 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80894397) has the molecular formula C9H8N8S2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80894397
Molecular FormulaC9H8N8S2
Molecular Weight292.35 g/mol
Exact Mass292.03
IUPAC Name4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1nsc(Sc2nc(N)nc(-n3cccn3)n2)n1
InChIInChI=1S/C9H8N8S2/c1-5-12-9(19-16-5)18-8-14-6(10)13-7(15-8)17-4-2-3-11-17/h2-4H,1H3,(H2,10,13,14,15)
InChIKeyFOPHTKGBVKZKDR-UHFFFAOYSA-N
XLogP0.95
TPSA108.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883733
4-(2-methoxyethylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883957
4-(2-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80885105
4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883813
4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80895321
4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887003
4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80891024
[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80930407
3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
CID 80891108
methyl 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoate
CID 80886072
4-(2-methylimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80854151
2-pyrazol-1-ylpyrimidin-4-amine;hydrate;dihydrochloride
CID 175006544

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80894397) is 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Cc1nsc(Sc2nc(N)nc(-n3cccn3)n2)n1.
What is the InChIKey of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is FOPHTKGBVKZKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N8S2/c1-5-12-9(19-16-5)18-8-14-6(10)13-7(15-8)17-4-2-3-11-17/h2-4H,1H3,(H2,10,13,14,15).
What are the key properties of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 292.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80894397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).