3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid

C8H8F3N3O2 — CID 62702012

IUPAC3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
SMILESCN(CC(F)(F)F)c1nccnc1C(=O)O
InChIInChI=1S/C8H8F3N3O2/c1-14(4-8(9,10)11)6-5(7(15)16)12-2-3-13-6/h2-3H,4H2,1H3,(H,15,16)
InChIKeyQNMLKWDNFSNKAV-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.17
Rot. Bonds3

About 3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid

3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid (PubChem CID 62702012) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
PubChem CID62702012
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
SMILESCN(CC(F)(F)F)c1nccnc1C(=O)O
InChIInChI=1S/C8H8F3N3O2/c1-14(4-8(9,10)11)6-5(7(15)16)12-2-3-13-6/h2-3H,4H2,1H3,(H,15,16)
InChIKeyQNMLKWDNFSNKAV-UHFFFAOYSA-N
XLogP1.17
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-2-pyrazinecarboxylic acid
CID 72656
6-Aminopyrazine-2-carboxylic acid
CID 12295729
5-Aminopyrazine-2-carboxylic acid
CID 21897334
Sodium 3-(propylamino)pyrazine-2-carboxylate
CID 168277678
Hypnosin
CID 10511603
6-(Methylamino)pyrazine-2-carboxylic acid
CID 818291
6-(Dimethylamino)pyrazine-2-carboxylic acid
CID 1282536
3-((Tert-butoxycarbonyl)amino)pyrazine-2-carboxylic acid
CID 20623657
3-(Methylamino)pyrazine-2-carboxylic acid
CID 20699543
5-(Morpholin-4-yl)pyrazine-2-carboxylic acid
CID 45789762
5-(Dimethylamino)pyrazine-2-carboxylic acid
CID 64273735
2-(difluoromethyl)-1-methyl-1H-imidazole-4-carboxylic acid
CID 137940810

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid (CID 62702012) is 3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid is CN(CC(F)(F)F)c1nccnc1C(=O)O.
What is the InChIKey of 3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is QNMLKWDNFSNKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-14(4-8(9,10)11)6-5(7(15)16)12-2-3-13-6/h2-3H,4H2,1H3,(H,15,16).
What are the key properties of 3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 62702012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).