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

C8H10N4S — CID 606613

IUPAC7-ethylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCSc1cc(C)nc2ncnn12
InChIInChI=1S/C8H10N4S/c1-3-13-7-4-6(2)11-8-9-5-10-12(7)8/h4-5H,3H2,1-2H3
InChIKeyYGUALCZLCCISPX-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.54
Rot. Bonds2

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

7-ethylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 606613) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 7-ethylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-ethylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID606613
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name7-ethylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCSc1cc(C)nc2ncnn12
InChIInChI=1S/C8H10N4S/c1-3-13-7-4-6(2)11-8-9-5-10-12(7)8/h4-5H,3H2,1-2H3
InChIKeyYGUALCZLCCISPX-UHFFFAOYSA-N
XLogP1.54
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-ethylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 606613) is 7-ethylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-ethylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-ethylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCSc1cc(C)nc2ncnn12.
What is the InChIKey of 7-ethylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is YGUALCZLCCISPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-3-13-7-4-6(2)11-8-9-5-10-12(7)8/h4-5H,3H2,1-2H3.
What are the key properties of 7-ethylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-ethylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 194.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 606613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).