2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine

C10H13N5OS — CID 3228114

IUPAC2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOCCSc1nnc(-c2cnccn2)n1C
InChIInChI=1S/C10H13N5OS/c1-15-9(8-7-11-3-4-12-8)13-14-10(15)17-6-5-16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyKLSGSCVSNXVFFC-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.01
Rot. Bonds5

About 2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine

2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine (PubChem CID 3228114) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine
PubChem CID3228114
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOCCSc1nnc(-c2cnccn2)n1C
InChIInChI=1S/C10H13N5OS/c1-15-9(8-7-11-3-4-12-8)13-14-10(15)17-6-5-16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyKLSGSCVSNXVFFC-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine (CID 3228114) is 2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine is COCCSc1nnc(-c2cnccn2)n1C.
What is the InChIKey of 2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is KLSGSCVSNXVFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-15-9(8-7-11-3-4-12-8)13-14-10(15)17-6-5-16-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine?
2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 251.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 3228114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).