5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

C16H12F3N5O2S — CID 72711842

IUPAC5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cn1
InChIInChI=1S/C16H12F3N5O2S/c1-27(25,26)13-5-3-9(6-22-13)11-8-23-15(20)14(24-11)10-2-4-12(21-7-10)16(17,18)19/h2-8H,1H3,(H2,20,23)
InChIKeyKPRDTOPSYBCQQG-UHFFFAOYSA-N
MW395.37 g/mol
LogP2.61
Rot. Bonds3

About 5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (PubChem CID 72711842) has the molecular formula C16H12F3N5O2S and a molecular weight of 395.37 g/mol. Its IUPAC name is 5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
PubChem CID72711842
Molecular FormulaC16H12F3N5O2S
Molecular Weight395.37 g/mol
Exact Mass395.07
IUPAC Name5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cn1
InChIInChI=1S/C16H12F3N5O2S/c1-27(25,26)13-5-3-9(6-22-13)11-8-23-15(20)14(24-11)10-2-4-12(21-7-10)16(17,18)19/h2-8H,1H3,(H2,20,23)
InChIKeyKPRDTOPSYBCQQG-UHFFFAOYSA-N
XLogP2.61
TPSA111.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of 5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (CID 72711842) is 5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for 5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for 5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cn1.
What is the InChIKey of 5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is KPRDTOPSYBCQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2S/c1-27(25,26)13-5-3-9(6-22-13)11-8-23-15(20)14(24-11)10-2-4-12(21-7-10)16(17,18)19/h2-8H,1H3,(H2,20,23).
What are the key properties of 5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 395.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylsulfonyl-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 72711842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).