5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid

C11H13F2N3O2 — CID 122058141

IUPAC5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCC2CC(F)(F)C2)cn1
InChIInChI=1S/C11H13F2N3O2/c12-11(13)3-7(4-11)1-2-14-9-6-15-8(5-16-9)10(17)18/h5-7H,1-4H2,(H,14,16)(H,17,18)
InChIKeyKBGBBQOBPNXEKU-UHFFFAOYSA-N
MW257.24 g/mol
LogP2.02
Rot. Bonds5

About 5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid

5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 122058141) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is 5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID122058141
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCC2CC(F)(F)C2)cn1
InChIInChI=1S/C11H13F2N3O2/c12-11(13)3-7(4-11)1-2-14-9-6-15-8(5-16-9)10(17)18/h5-7H,1-4H2,(H,14,16)(H,17,18)
InChIKeyKBGBBQOBPNXEKU-UHFFFAOYSA-N
XLogP2.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326
5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
CID 106136489
5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid
CID 122053882
5-(7-methyloctylamino)pyrazine-2-carboxylic acid
CID 107815534
5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid
CID 107372352
5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
CID 115455525
5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid
CID 122053496
5-[3-(2-methylpropylsulfanyl)propylamino]pyrazine-2-carboxylic acid
CID 122054578
5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid
CID 122053930
5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid
CID 166302096
5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 166243247
N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374667

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid (CID 122058141) is 5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCCC2CC(F)(F)C2)cn1.
What is the InChIKey of 5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is KBGBBQOBPNXEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c12-11(13)3-7(4-11)1-2-14-9-6-15-8(5-16-9)10(17)18/h5-7H,1-4H2,(H,14,16)(H,17,18).
What are the key properties of 5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid?
5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 257.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122058141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).