N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

C12H8F3N3O2 — CID 1448426

IUPACN-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnccn1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)20-9-3-1-8(2-4-9)18-11(19)10-7-16-5-6-17-10/h1-7H,(H,18,19)
InChIKeyRMPGVXROEJRFMZ-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.63
Rot. Bonds3

About N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 1448426) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
PubChem CID1448426
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC NameN-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnccn1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)20-9-3-1-8(2-4-9)18-11(19)10-7-16-5-6-17-10/h1-7H,(H,18,19)
InChIKeyRMPGVXROEJRFMZ-UHFFFAOYSA-N
XLogP2.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (CID 1448426) is N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnccn1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is RMPGVXROEJRFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)20-9-3-1-8(2-4-9)18-11(19)10-7-16-5-6-17-10/h1-7H,(H,18,19).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 283.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 1448426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).