2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C9H12N4S — CID 713783

IUPAC2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCSc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C9H12N4S/c1-4-14-9-11-8-10-6(2)5-7(3)13(8)12-9/h5H,4H2,1-3H3
InChIKeyVZKKJPXQSNBRBR-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.85
Rot. Bonds2

About 2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 713783) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID713783
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCSc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C9H12N4S/c1-4-14-9-11-8-10-6(2)5-7(3)13(8)12-9/h5H,4H2,1-3H3
InChIKeyVZKKJPXQSNBRBR-UHFFFAOYSA-N
XLogP1.85
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 713783) is 2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCSc1nc2nc(C)cc(C)n2n1.
What is the InChIKey of 2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VZKKJPXQSNBRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-4-14-9-11-8-10-6(2)5-7(3)13(8)12-9/h5H,4H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 208.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 713783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).