3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid

C10H11F3N4O2 — CID 89443019

IUPAC3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid
SMILESNc1nc(C(F)(F)F)c(N2CCCC2)nc1C(=O)O
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)6-8(17-3-1-2-4-17)15-5(9(18)19)7(14)16-6/h1-4H2,(H2,14,16)(H,18,19)
InChIKeyNOJDDGFTWZHNEE-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.38
Rot. Bonds2

About 3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid

3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid (PubChem CID 89443019) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid
PubChem CID89443019
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid
SMILESNc1nc(C(F)(F)F)c(N2CCCC2)nc1C(=O)O
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)6-8(17-3-1-2-4-17)15-5(9(18)19)7(14)16-6/h1-4H2,(H2,14,16)(H,18,19)
InChIKeyNOJDDGFTWZHNEE-UHFFFAOYSA-N
XLogP1.38
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid
CID 89443497
3-Amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid
CID 89443770
3-Amino-5-(2,2-difluoroethylamino)-6-(2-trimethylsilylethynyl)pyrazine-2-carboxylic acid
CID 141341478
3-(3,3-Difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 156565653
5-amino-1-[(1S)-2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid
CID 166047323
5-Amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid
CID 174968057
5-Amino-3-(2,2,2-trifluoroethyl)imidazole-4-carboxylic acid
CID 83884230
5-(3,3-Difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 122054752
5-(3-Fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 122057813
5-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 122057905
5-(3,3,4,4-Tetrafluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 122058186
3-Amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid
CID 151547892

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid (CID 89443019) is 3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid is Nc1nc(C(F)(F)F)c(N2CCCC2)nc1C(=O)O.
What is the InChIKey of 3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
The InChIKey is NOJDDGFTWZHNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)6-8(17-3-1-2-4-17)15-5(9(18)19)7(14)16-6/h1-4H2,(H2,14,16)(H,18,19).
What are the key properties of 3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid has a molecular weight of 276.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 89443019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).