5-(2-ethylhexylamino)pyrazine-2-carboxylic acid

C13H21N3O2 — CID 107815568

IUPAC5-(2-ethylhexylamino)pyrazine-2-carboxylic acid
SMILESCCCCC(CC)CNc1cnc(C(=O)O)cn1
InChIInChI=1S/C13H21N3O2/c1-3-5-6-10(4-2)7-15-12-9-14-11(8-16-12)13(17)18/h8-10H,3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyVAMKBZRNSQZAMT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.80
Rot. Bonds8

About 5-(2-ethylhexylamino)pyrazine-2-carboxylic acid

5-(2-ethylhexylamino)pyrazine-2-carboxylic acid (PubChem CID 107815568) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(2-ethylhexylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethylhexylamino)pyrazine-2-carboxylic acid
PubChem CID107815568
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(2-ethylhexylamino)pyrazine-2-carboxylic acid
SMILESCCCCC(CC)CNc1cnc(C(=O)O)cn1
InChIInChI=1S/C13H21N3O2/c1-3-5-6-10(4-2)7-15-12-9-14-11(8-16-12)13(17)18/h8-10H,3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyVAMKBZRNSQZAMT-UHFFFAOYSA-N
XLogP2.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-ethylhexyl)pyrazine-2,5-diamine
CID 107818873
5-(7-methyloctylamino)pyrazine-2-carboxylic acid
CID 107815534
5-(ethylamino)-N-hexan-2-ylpyrazine-2-carboxamide
CID 107375376
N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272339
5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid
CID 122053074
2-N-(2-ethylhexyl)-6-N-methylpyrazine-2,6-diamine
CID 114004493
4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid
CID 103790246
methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate
CID 107816442
N-(2-ethylhexyl)-5-methylpyrimidin-2-amine
CID 107816474
4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine
CID 129414271
N-butyl-N-methyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272998
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylhexylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(2-ethylhexylamino)pyrazine-2-carboxylic acid (CID 107815568) is 5-(2-ethylhexylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(2-ethylhexylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(2-ethylhexylamino)pyrazine-2-carboxylic acid is CCCCC(CC)CNc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-(2-ethylhexylamino)pyrazine-2-carboxylic acid?
The InChIKey is VAMKBZRNSQZAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-6-10(4-2)7-15-12-9-14-11(8-16-12)13(17)18/h8-10H,3-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-(2-ethylhexylamino)pyrazine-2-carboxylic acid?
5-(2-ethylhexylamino)pyrazine-2-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylhexylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 107815568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).