5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid

C14H13F3N4O4 — CID 167745164

IUPAC5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCC(Nc1cnc(C(=O)O)cn1)c1cccnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H12N4O2.C2HF3O2/c1-8(9-3-2-4-13-5-9)16-11-7-14-10(6-15-11)12(17)18;3-2(4,5)1(6)7/h2-8H,1H3,(H,15,16)(H,17,18);(H,6,7)
InChIKeyPHFIZGDPOCLOQZ-UHFFFAOYSA-N
MW358.28 g/mol
LogP2.38
Rot. Bonds4

About 5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid

5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 167745164) has the molecular formula C14H13F3N4O4 and a molecular weight of 358.28 g/mol. Its IUPAC name is 5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID167745164
Molecular FormulaC14H13F3N4O4
Molecular Weight358.28 g/mol
Exact Mass358.09
IUPAC Name5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCC(Nc1cnc(C(=O)O)cn1)c1cccnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H12N4O2.C2HF3O2/c1-8(9-3-2-4-13-5-9)16-11-7-14-10(6-15-11)12(17)18;3-2(4,5)1(6)7/h2-8H,1H3,(H,15,16)(H,17,18);(H,6,7)
InChIKeyPHFIZGDPOCLOQZ-UHFFFAOYSA-N
XLogP2.38
TPSA125.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid (CID 167745164) is 5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid is CC(Nc1cnc(C(=O)O)cn1)c1cccnc1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is PHFIZGDPOCLOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2.C2HF3O2/c1-8(9-3-2-4-13-5-9)16-11-7-14-10(6-15-11)12(17)18;3-2(4,5)1(6)7/h2-8H,1H3,(H,15,16)(H,17,18);(H,6,7).
What are the key properties of 5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 358.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167745164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).