6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid

C12H19N3O3 — CID 106287196

IUPAC6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid
SMILESCCC(CC)C(O)CNc1cncc(C(=O)O)n1
InChIInChI=1S/C12H19N3O3/c1-3-8(4-2)10(16)6-14-11-7-13-5-9(15-11)12(17)18/h5,7-8,10,16H,3-4,6H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyRXAHGUFUQFYTJQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.38
Rot. Bonds7

About 6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid

6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid (PubChem CID 106287196) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid
PubChem CID106287196
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid
SMILESCCC(CC)C(O)CNc1cncc(C(=O)O)n1
InChIInChI=1S/C12H19N3O3/c1-3-8(4-2)10(16)6-14-11-7-13-5-9(15-11)12(17)18/h5,7-8,10,16H,3-4,6H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyRXAHGUFUQFYTJQ-UHFFFAOYSA-N
XLogP1.38
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid (CID 106287196) is 6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid is CCC(CC)C(O)CNc1cncc(C(=O)O)n1.
What is the InChIKey of 6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is RXAHGUFUQFYTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-8(4-2)10(16)6-14-11-7-13-5-9(15-11)12(17)18/h5,7-8,10,16H,3-4,6H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid?
6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 106287196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).