5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C8H7N7O3S — CID 155272530

IUPAC5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCS(=O)(=O)c1nc(N)n2nc(-c3ncco3)nc2n1
InChIInChI=1S/C8H7N7O3S/c1-19(16,17)8-12-6(9)15-7(13-8)11-4(14-15)5-10-2-3-18-5/h2-3H,1H3,(H2,9,11,12,13,14)
InChIKeyNTTFZAATGYFCBJ-UHFFFAOYSA-N
MW281.26 g/mol
LogP-0.84
Rot. Bonds2

About 5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 155272530) has the molecular formula C8H7N7O3S and a molecular weight of 281.26 g/mol. Its IUPAC name is 5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID155272530
Molecular FormulaC8H7N7O3S
Molecular Weight281.26 g/mol
Exact Mass281.03
IUPAC Name5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCS(=O)(=O)c1nc(N)n2nc(-c3ncco3)nc2n1
InChIInChI=1S/C8H7N7O3S/c1-19(16,17)8-12-6(9)15-7(13-8)11-4(14-15)5-10-2-3-18-5/h2-3H,1H3,(H2,9,11,12,13,14)
InChIKeyNTTFZAATGYFCBJ-UHFFFAOYSA-N
XLogP-0.84
TPSA142.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 155272530) is 5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is CS(=O)(=O)c1nc(N)n2nc(-c3ncco3)nc2n1.
What is the InChIKey of 5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is NTTFZAATGYFCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7O3S/c1-19(16,17)8-12-6(9)15-7(13-8)11-4(14-15)5-10-2-3-18-5/h2-3H,1H3,(H2,9,11,12,13,14).
What are the key properties of 5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 281.26 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 155272530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).