2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine

C10H13N5OS — CID 3228121

IUPAC2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOCCn1c(SC)nnc1-c1cnccn1
InChIInChI=1S/C10H13N5OS/c1-16-6-5-15-9(13-14-10(15)17-2)8-7-11-3-4-12-8/h3-4,7H,5-6H2,1-2H3
InChIKeyKZFHLYOZADAKSE-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.10
Rot. Bonds5

About 2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine

2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine (PubChem CID 3228121) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine
PubChem CID3228121
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOCCn1c(SC)nnc1-c1cnccn1
InChIInChI=1S/C10H13N5OS/c1-16-6-5-15-9(13-14-10(15)17-2)8-7-11-3-4-12-8/h3-4,7H,5-6H2,1-2H3
InChIKeyKZFHLYOZADAKSE-UHFFFAOYSA-N
XLogP1.10
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine (CID 3228121) is 2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine is COCCn1c(SC)nnc1-c1cnccn1.
What is the InChIKey of 2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is KZFHLYOZADAKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-16-6-5-15-9(13-14-10(15)17-2)8-7-11-3-4-12-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine?
2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 251.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 3228121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).