6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid

C11H15N3O3 — CID 114468104

IUPAC6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid
SMILESC=C(C)COCCNc1cncc(C(=O)O)n1
InChIInChI=1S/C11H15N3O3/c1-8(2)7-17-4-3-13-10-6-12-5-9(14-10)11(15)16/h5-6H,1,3-4,7H2,2H3,(H,13,14)(H,15,16)
InChIKeyNYSIZXFHVWPYHI-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.18
Rot. Bonds7

About 6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid

6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 114468104) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid
PubChem CID114468104
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid
SMILESC=C(C)COCCNc1cncc(C(=O)O)n1
InChIInChI=1S/C11H15N3O3/c1-8(2)7-17-4-3-13-10-6-12-5-9(14-10)11(15)16/h5-6H,1,3-4,7H2,2H3,(H,13,14)(H,15,16)
InChIKeyNYSIZXFHVWPYHI-UHFFFAOYSA-N
XLogP1.18
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Aminopyrazine-2-carboxylic acid
CID 12295729
5-Aminopyrazine-2-carboxylic acid
CID 21897334
Methyl 5-aminopyrazine-2-carboxylate
CID 14536427
Methyl 6-aminopyrazine-2-carboxylate
CID 44558107
Methyl 3-amino-6-methylpyrazine-2-carboxylate
CID 58840780
Sodium 3-(propylamino)pyrazine-2-carboxylate
CID 168277678
Hypnosin
CID 10511603
6-(Methylamino)pyrazine-2-carboxylic acid
CID 818291
6-(Dimethylamino)pyrazine-2-carboxylic acid
CID 1282536
3-(Methylamino)pyrazine-2-carboxylic acid
CID 20699543
5-(Morpholin-4-yl)pyrazine-2-carboxylic acid
CID 45789762
5-{[(Tert-butoxy)carbonyl]amino}pyrazine-2-carboxylic acid
CID 52903804

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid (CID 114468104) is 6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid is C=C(C)COCCNc1cncc(C(=O)O)n1.
What is the InChIKey of 6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is NYSIZXFHVWPYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(2)7-17-4-3-13-10-6-12-5-9(14-10)11(15)16/h5-6H,1,3-4,7H2,2H3,(H,13,14)(H,15,16).
What are the key properties of 6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid?
6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 114468104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).