3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid

C13H10F3N3O2 — CID 62711116

IUPAC3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)9-3-1-2-8(6-9)7-19-11-10(12(20)21)17-4-5-18-11/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyMDYZTRNSDKHSCK-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.81
Rot. Bonds4

About 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid

3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid (PubChem CID 62711116) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid
PubChem CID62711116
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)9-3-1-2-8(6-9)7-19-11-10(12(20)21)17-4-5-18-11/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyMDYZTRNSDKHSCK-UHFFFAOYSA-N
XLogP2.81
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid (CID 62711116) is 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid?
The InChIKey is MDYZTRNSDKHSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c14-13(15,16)9-3-1-2-8(6-9)7-19-11-10(12(20)21)17-4-5-18-11/h1-6H,7H2,(H,18,19)(H,20,21).
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid?
3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid has a molecular weight of 297.24 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 62711116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).