6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid

C12H11F3N4O5 — CID 131740458

IUPAC6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCOc1nc(C(=O)O)cnc1-n1cnc(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H10N4O3.C2HF3O2/c1-6-4-14(5-12-6)8-9(17-2)13-7(3-11-8)10(15)16;3-2(4,5)1(6)7/h3-5H,1-2H3,(H,15,16);(H,6,7)
InChIKeyPOWZRKISHWYOED-UHFFFAOYSA-N
MW348.24 g/mol
LogP1.31
Rot. Bonds3

About 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid

6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 131740458) has the molecular formula C12H11F3N4O5 and a molecular weight of 348.24 g/mol. Its IUPAC name is 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID131740458
Molecular FormulaC12H11F3N4O5
Molecular Weight348.24 g/mol
Exact Mass348.07
IUPAC Name6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCOc1nc(C(=O)O)cnc1-n1cnc(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H10N4O3.C2HF3O2/c1-6-4-14(5-12-6)8-9(17-2)13-7(3-11-8)10(15)16;3-2(4,5)1(6)7/h3-5H,1-2H3,(H,15,16);(H,6,7)
InChIKeyPOWZRKISHWYOED-UHFFFAOYSA-N
XLogP1.31
TPSA127.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid (CID 131740458) is 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid is COc1nc(C(=O)O)cnc1-n1cnc(C)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is POWZRKISHWYOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3.C2HF3O2/c1-6-4-14(5-12-6)8-9(17-2)13-7(3-11-8)10(15)16;3-2(4,5)1(6)7/h3-5H,1-2H3,(H,15,16);(H,6,7).
What are the key properties of 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 348.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 131740458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).