3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid

C9H10F3N3O2 — CID 131677194

IUPAC3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1nccnc1C1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9N3.C2HF3O2/c8-7-6(5-1-2-5)9-3-4-10-7;3-2(4,5)1(6)7/h3-5H,1-2H2,(H2,8,10);(H,6,7)
InChIKeyMWCOPXCBJGRGCQ-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.57
Rot. Bonds1

About 3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid

3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 131677194) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID131677194
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1nccnc1C1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9N3.C2HF3O2/c8-7-6(5-1-2-5)9-3-4-10-7;3-2(4,5)1(6)7/h3-5H,1-2H2,(H2,8,10);(H,6,7)
InChIKeyMWCOPXCBJGRGCQ-UHFFFAOYSA-N
XLogP1.57
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid (CID 131677194) is 3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid is Nc1nccnc1C1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is MWCOPXCBJGRGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.C2HF3O2/c8-7-6(5-1-2-5)9-3-4-10-7;3-2(4,5)1(6)7/h3-5H,1-2H2,(H2,8,10);(H,6,7).
What are the key properties of 3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid?
3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 249.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylpyrazin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 131677194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).