1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid

C10H15F3N2O2 — CID 174717272

IUPAC1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid
SMILESCCCCN1C=CN=CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2.C2HF3O2/c1-2-3-6-10-7-4-9-5-8-10;3-2(4,5)1(6)7/h4-5,7H,2-3,6,8H2,1H3;(H,6,7)
InChIKeyFHGLPVQUXRGTNL-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.28
Rot. Bonds3

About 1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid

1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 174717272) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid
PubChem CID174717272
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid
SMILESCCCCN1C=CN=CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2.C2HF3O2/c1-2-3-6-10-7-4-9-5-8-10;3-2(4,5)1(6)7/h4-5,7H,2-3,6,8H2,1H3;(H,6,7)
InChIKeyFHGLPVQUXRGTNL-UHFFFAOYSA-N
XLogP2.28
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid (CID 174717272) is 1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid is CCCCN1C=CN=CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is FHGLPVQUXRGTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C2HF3O2/c1-2-3-6-10-7-4-9-5-8-10;3-2(4,5)1(6)7/h4-5,7H,2-3,6,8H2,1H3;(H,6,7).
What are the key properties of 1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid?
1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 252.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2H-pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174717272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).