5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C11H16N4S — CID 706535

IUPAC5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(SCC(C)C)nc2n1
InChIInChI=1S/C11H16N4S/c1-7(2)6-16-11-13-10-12-8(3)5-9(4)15(10)14-11/h5,7H,6H2,1-4H3
InChIKeyXWDREPGJOBFESM-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.49
Rot. Bonds3

About 5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 706535) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID706535
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(SCC(C)C)nc2n1
InChIInChI=1S/C11H16N4S/c1-7(2)6-16-11-13-10-12-8(3)5-9(4)15(10)14-11/h5,7H,6H2,1-4H3
InChIKeyXWDREPGJOBFESM-UHFFFAOYSA-N
XLogP2.49
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 706535) is 5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(SCC(C)C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XWDREPGJOBFESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7(2)6-16-11-13-10-12-8(3)5-9(4)15(10)14-11/h5,7H,6H2,1-4H3.
What are the key properties of 5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 236.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 706535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).