(3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid

C9H12F3N3O2 — CID 155819950

IUPAC(3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESCCc1nccnc1CN.O=C(O)C(F)(F)F
InChIInChI=1S/C7H11N3.C2HF3O2/c1-2-6-7(5-8)10-4-3-9-6;3-2(4,5)1(6)7/h3-4H,2,5,8H2,1H3;(H,6,7)
InChIKeyHOIWORHSDKSDBH-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.13
Rot. Bonds2

About (3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid

(3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 155819950) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is (3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid
PubChem CID155819950
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name(3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESCCc1nccnc1CN.O=C(O)C(F)(F)F
InChIInChI=1S/C7H11N3.C2HF3O2/c1-2-6-7(5-8)10-4-3-9-6;3-2(4,5)1(6)7/h3-4H,2,5,8H2,1H3;(H,6,7)
InChIKeyHOIWORHSDKSDBH-UHFFFAOYSA-N
XLogP1.13
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of (3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid (CID 155819950) is (3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid is CCc1nccnc1CN.O=C(O)C(F)(F)F.
What is the InChIKey of (3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is HOIWORHSDKSDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.C2HF3O2/c1-2-6-7(5-8)10-4-3-9-6;3-2(4,5)1(6)7/h3-4H,2,5,8H2,1H3;(H,6,7).
What are the key properties of (3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid?
(3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 251.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpyrazin-2-yl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155819950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).