5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C11H14N4OS — CID 126803906

IUPAC5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(SC3CCOC3)nc2n1
InChIInChI=1S/C11H14N4OS/c1-7-5-8(2)15-10(12-7)13-11(14-15)17-9-3-4-16-6-9/h5,9H,3-4,6H2,1-2H3
InChIKeyCLCSUDCKIPGRBW-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.62
Rot. Bonds2

About 5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 126803906) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID126803906
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(SC3CCOC3)nc2n1
InChIInChI=1S/C11H14N4OS/c1-7-5-8(2)15-10(12-7)13-11(14-15)17-9-3-4-16-6-9/h5,9H,3-4,6H2,1-2H3
InChIKeyCLCSUDCKIPGRBW-UHFFFAOYSA-N
XLogP1.62
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 126803906) is 5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(SC3CCOC3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CLCSUDCKIPGRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7-5-8(2)15-10(12-7)13-11(14-15)17-9-3-4-16-6-9/h5,9H,3-4,6H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 250.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126803906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).