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

C14H12N6OS — CID 974207

IUPAC2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1
InChIInChI=1S/C14H12N6OS/c15-12(21)9-22-14-19-18-13(11-8-16-6-7-17-11)20(14)10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,21)
InChIKeyNIPDNKXXQIFFJC-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.30
Rot. Bonds5

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

2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 974207) has the molecular formula C14H12N6OS and a molecular weight of 312.36 g/mol. Its IUPAC name is 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID974207
Molecular FormulaC14H12N6OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC Name2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1
InChIInChI=1S/C14H12N6OS/c15-12(21)9-22-14-19-18-13(11-8-16-6-7-17-11)20(14)10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,21)
InChIKeyNIPDNKXXQIFFJC-UHFFFAOYSA-N
XLogP1.30
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 974207) is 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1.
What is the InChIKey of 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is NIPDNKXXQIFFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS/c15-12(21)9-22-14-19-18-13(11-8-16-6-7-17-11)20(14)10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,21).
What are the key properties of 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 312.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 974207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).