3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide

C12H16F3N5O2 — CID 174739473

IUPAC3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESNC(=O)c1nc(CCN2CCOCC2)c(C(F)(F)F)nc1N
InChIInChI=1S/C12H16F3N5O2/c13-12(14,15)9-7(1-2-20-3-5-22-6-4-20)18-8(11(17)21)10(16)19-9/h1-6H2,(H2,16,19)(H2,17,21)
InChIKeyGSQXGHCGDKIPIM-UHFFFAOYSA-N
MW319.29 g/mol
LogP0.05
Rot. Bonds4

About 3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide

3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 174739473) has the molecular formula C12H16F3N5O2 and a molecular weight of 319.29 g/mol. Its IUPAC name is 3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide
PubChem CID174739473
Molecular FormulaC12H16F3N5O2
Molecular Weight319.29 g/mol
Exact Mass319.13
IUPAC Name3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESNC(=O)c1nc(CCN2CCOCC2)c(C(F)(F)F)nc1N
InChIInChI=1S/C12H16F3N5O2/c13-12(14,15)9-7(1-2-20-3-5-22-6-4-20)18-8(11(17)21)10(16)19-9/h1-6H2,(H2,16,19)(H2,17,21)
InChIKeyGSQXGHCGDKIPIM-UHFFFAOYSA-N
XLogP0.05
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide (CID 174739473) is 3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide is NC(=O)c1nc(CCN2CCOCC2)c(C(F)(F)F)nc1N.
What is the InChIKey of 3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide?
The InChIKey is GSQXGHCGDKIPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O2/c13-12(14,15)9-7(1-2-20-3-5-22-6-4-20)18-8(11(17)21)10(16)19-9/h1-6H2,(H2,16,19)(H2,17,21).
What are the key properties of 3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide?
3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 319.29 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 174739473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).