6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid

C8H11N3O3 — CID 66456627

IUPAC6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid
SMILESCN(CCO)c1cncc(C(=O)O)n1
InChIInChI=1S/C8H11N3O3/c1-11(2-3-12)7-5-9-4-6(10-7)8(13)14/h4-5,12H,2-3H2,1H3,(H,13,14)
InChIKeyNHGFVYRDMBCLRV-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.40
Rot. Bonds4

About 6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid

6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid (PubChem CID 66456627) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid
PubChem CID66456627
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid
SMILESCN(CCO)c1cncc(C(=O)O)n1
InChIInChI=1S/C8H11N3O3/c1-11(2-3-12)7-5-9-4-6(10-7)8(13)14/h4-5,12H,2-3H2,1H3,(H,13,14)
InChIKeyNHGFVYRDMBCLRV-UHFFFAOYSA-N
XLogP-0.40
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid (CID 66456627) is 6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid is CN(CCO)c1cncc(C(=O)O)n1.
What is the InChIKey of 6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is NHGFVYRDMBCLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-11(2-3-12)7-5-9-4-6(10-7)8(13)14/h4-5,12H,2-3H2,1H3,(H,13,14).
What are the key properties of 6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid?
6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66456627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).