2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide

C17H18N6O2S — CID 662834

IUPAC2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cnccn1
InChIInChI=1S/C17H18N6O2S/c1-3-23-16(13-10-18-8-9-19-13)21-22-17(23)26-11-15(24)20-12-6-4-5-7-14(12)25-2/h4-10H,3,11H2,1-2H3,(H,20,24)
InChIKeyVXTGXRASPZPUCN-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.49
Rot. Bonds7

About 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide

2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide (PubChem CID 662834) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
PubChem CID662834
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cnccn1
InChIInChI=1S/C17H18N6O2S/c1-3-23-16(13-10-18-8-9-19-13)21-22-17(23)26-11-15(24)20-12-6-4-5-7-14(12)25-2/h4-10H,3,11H2,1-2H3,(H,20,24)
InChIKeyVXTGXRASPZPUCN-UHFFFAOYSA-N
XLogP2.49
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide (CID 662834) is 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide is CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cnccn1.
What is the InChIKey of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is VXTGXRASPZPUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-3-23-16(13-10-18-8-9-19-13)21-22-17(23)26-11-15(24)20-12-6-4-5-7-14(12)25-2/h4-10H,3,11H2,1-2H3,(H,20,24).
What are the key properties of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 370.44 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 662834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).