8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine

C8H11N5OS — CID 18366185

IUPAC8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine
SMILESCCOc1cnc(SC)n2c(N)nnc12
InChIInChI=1S/C8H11N5OS/c1-3-14-5-4-10-8(15-2)13-6(5)11-12-7(13)9/h4H,3H2,1-2H3,(H2,9,12)
InChIKeyJOFPEANCFFSOBV-UHFFFAOYSA-N
MW225.28 g/mol
LogP0.83
Rot. Bonds3

About 8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine

8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine (PubChem CID 18366185) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is 8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine.

Molecular Properties

Compound Name8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine
PubChem CID18366185
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine
SMILESCCOc1cnc(SC)n2c(N)nnc12
InChIInChI=1S/C8H11N5OS/c1-3-14-5-4-10-8(15-2)13-6(5)11-12-7(13)9/h4H,3H2,1-2H3,(H2,9,12)
InChIKeyJOFPEANCFFSOBV-UHFFFAOYSA-N
XLogP0.83
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
The IUPAC name of 8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine (CID 18366185) is 8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine.
What is the SMILES notation for 8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
The canonical SMILES for 8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine is CCOc1cnc(SC)n2c(N)nnc12.
What is the InChIKey of 8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
The InChIKey is JOFPEANCFFSOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-3-14-5-4-10-8(15-2)13-6(5)11-12-7(13)9/h4H,3H2,1-2H3,(H2,9,12).
What are the key properties of 8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine has a molecular weight of 225.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine is sourced from PubChem (CID 18366185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).