2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid

C10H12F3N3O2 — CID 114080386

IUPAC2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid
SMILESCc1nccnc1C(C)(NCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H12F3N3O2/c1-6-7(15-4-3-14-6)9(2,8(17)18)16-5-10(11,12)13/h3-4,16H,5H2,1-2H3,(H,17,18)
InChIKeyZSWBQROCJIEPAX-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.24
Rot. Bonds4

About 2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid

2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid (PubChem CID 114080386) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid.

Molecular Properties

Compound Name2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid
PubChem CID114080386
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid
SMILESCc1nccnc1C(C)(NCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H12F3N3O2/c1-6-7(15-4-3-14-6)9(2,8(17)18)16-5-10(11,12)13/h3-4,16H,5H2,1-2H3,(H,17,18)
InChIKeyZSWBQROCJIEPAX-UHFFFAOYSA-N
XLogP1.24
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid?
The IUPAC name of 2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid (CID 114080386) is 2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid.
What is the SMILES notation for 2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid?
The canonical SMILES for 2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid is Cc1nccnc1C(C)(NCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid?
The InChIKey is ZSWBQROCJIEPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-6-7(15-4-3-14-6)9(2,8(17)18)16-5-10(11,12)13/h3-4,16H,5H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid?
2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid has a molecular weight of 263.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid is sourced from PubChem (CID 114080386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).