propyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid

C14H18F3N3O4 — CID 155981951

IUPACpropyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCCOC(=O)c1cnc(C2CCCN2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17N3O2.C2HF3O2/c1-2-6-17-12(16)11-8-14-10(7-15-11)9-4-3-5-13-9;3-2(4,5)1(6)7/h7-9,13H,2-6H2,1H3;(H,6,7)
InChIKeyGNZLSEUNPMPIMO-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.10
Rot. Bonds4

About propyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid

propyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 155981951) has the molecular formula C14H18F3N3O4 and a molecular weight of 349.31 g/mol. Its IUPAC name is propyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepropyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID155981951
Molecular FormulaC14H18F3N3O4
Molecular Weight349.31 g/mol
Exact Mass349.12
IUPAC Namepropyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCCOC(=O)c1cnc(C2CCCN2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17N3O2.C2HF3O2/c1-2-6-17-12(16)11-8-14-10(7-15-11)9-4-3-5-13-9;3-2(4,5)1(6)7/h7-9,13H,2-6H2,1H3;(H,6,7)
InChIKeyGNZLSEUNPMPIMO-UHFFFAOYSA-N
XLogP2.10
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of propyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid (CID 155981951) is propyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for propyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for propyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid is CCCOC(=O)c1cnc(C2CCCN2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of propyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is GNZLSEUNPMPIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.C2HF3O2/c1-2-6-17-12(16)11-8-14-10(7-15-11)9-4-3-5-13-9;3-2(4,5)1(6)7/h7-9,13H,2-6H2,1H3;(H,6,7).
What are the key properties of propyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid?
propyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 349.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155981951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).