5-(ethylaminomethyl)pyrazine-2-carboxylic acid

C8H11N3O2 — CID 105439294

IUPAC5-(ethylaminomethyl)pyrazine-2-carboxylic acid
SMILESCCNCc1cnc(C(=O)O)cn1
InChIInChI=1S/C8H11N3O2/c1-2-9-3-6-4-11-7(5-10-6)8(12)13/h4-5,9H,2-3H2,1H3,(H,12,13)
InChIKeyXLBMATQYLVYRBI-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.28
Rot. Bonds4

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

5-(ethylaminomethyl)pyrazine-2-carboxylic acid (PubChem CID 105439294) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-(ethylaminomethyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(ethylaminomethyl)pyrazine-2-carboxylic acid
PubChem CID105439294
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-(ethylaminomethyl)pyrazine-2-carboxylic acid
SMILESCCNCc1cnc(C(=O)O)cn1
InChIInChI=1S/C8H11N3O2/c1-2-9-3-6-4-11-7(5-10-6)8(12)13/h4-5,9H,2-3H2,1H3,(H,12,13)
InChIKeyXLBMATQYLVYRBI-UHFFFAOYSA-N
XLogP0.28
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(ethylaminomethyl)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

5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid
CID 117213219
5-(methylsulfanylmethyl)pyrazine-2-carboxylic acid
CID 117213283
N,N-diethyl-5-(ethylaminomethyl)pyrazin-2-amine
CID 107378823
5-(propan-2-ylsulfanylmethyl)pyrazine-2-carboxylic acid
CID 117213287
5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid
CID 123620674
N-ethyl-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 107379070
2-(ethylaminomethyl)pyrimidine-5-carboxylic acid
CID 84657807
6-(ethylaminomethyl)pyridin-3-amine
CID 79003622
5-ethylpyrazine-2-carboxamide;molecular hydrogen
CID 176985944
N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine
CID 107379251
4-[[(5-methylpyrazin-2-yl)methylamino]methyl]benzoic acid
CID 62845546
5-(ethylaminomethyl)-N-methyl-N-(2-methylbutan-2-yl)pyrazin-2-amine
CID 107380337

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(ethylaminomethyl)pyrazine-2-carboxylic acid (CID 105439294) is 5-(ethylaminomethyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(ethylaminomethyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(ethylaminomethyl)pyrazine-2-carboxylic acid is CCNCc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-(ethylaminomethyl)pyrazine-2-carboxylic acid?
The InChIKey is XLBMATQYLVYRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-9-3-6-4-11-7(5-10-6)8(12)13/h4-5,9H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-(ethylaminomethyl)pyrazine-2-carboxylic acid?
5-(ethylaminomethyl)pyrazine-2-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 105439294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).