7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine

C6H7N5S — CID 171384522

IUPAC7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine
SMILESCSc1nc(C)c2n[nH]nc2n1
InChIInChI=1S/C6H7N5S/c1-3-4-5(10-11-9-4)8-6(7-3)12-2/h1-2H3,(H,7,8,9,10,11)
InChIKeyRFHSTXQVGLCCBV-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.78
Rot. Bonds1

About 7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine

7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine (PubChem CID 171384522) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine
PubChem CID171384522
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine
SMILESCSc1nc(C)c2n[nH]nc2n1
InChIInChI=1S/C6H7N5S/c1-3-4-5(10-11-9-4)8-6(7-3)12-2/h1-2H3,(H,7,8,9,10,11)
InChIKeyRFHSTXQVGLCCBV-UHFFFAOYSA-N
XLogP0.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine?
The IUPAC name of 7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine (CID 171384522) is 7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine is CSc1nc(C)c2n[nH]nc2n1.
What is the InChIKey of 7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine?
The InChIKey is RFHSTXQVGLCCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c1-3-4-5(10-11-9-4)8-6(7-3)12-2/h1-2H3,(H,7,8,9,10,11).
What are the key properties of 7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine?
7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine has a molecular weight of 181.22 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 171384522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).