5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

C7H8N4S — CID 19826865

IUPAC5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCSc1cc(C)nc2ncnn12
InChIInChI=1S/C7H8N4S/c1-5-3-6(12-2)11-7(10-5)8-4-9-11/h3-4H,1-2H3
InChIKeyHPWPUEYAIFRDKA-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.15
Rot. Bonds1

About 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 19826865) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID19826865
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCSc1cc(C)nc2ncnn12
InChIInChI=1S/C7H8N4S/c1-5-3-6(12-2)11-7(10-5)8-4-9-11/h3-4H,1-2H3
InChIKeyHPWPUEYAIFRDKA-UHFFFAOYSA-N
XLogP1.15
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 19826865) is 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is CSc1cc(C)nc2ncnn12.
What is the InChIKey of 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HPWPUEYAIFRDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-5-3-6(12-2)11-7(10-5)8-4-9-11/h3-4H,1-2H3.
What are the key properties of 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 180.24 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 19826865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).