methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate

C10H12N4O3 — CID 170798601

IUPACmethyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C=CCC(N)=O)cnc1N
InChIInChI=1S/C10H12N4O3/c1-17-10(16)8-9(12)13-5-6(14-8)3-2-4-7(11)15/h2-3,5H,4H2,1H3,(H2,11,15)(H2,12,13)
InChIKeyQEAGIIIZHILQKP-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.27
Rot. Bonds4

About methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate

methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate (PubChem CID 170798601) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate
PubChem CID170798601
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Namemethyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C=CCC(N)=O)cnc1N
InChIInChI=1S/C10H12N4O3/c1-17-10(16)8-9(12)13-5-6(14-8)3-2-4-7(11)15/h2-3,5H,4H2,1H3,(H2,11,15)(H2,12,13)
InChIKeyQEAGIIIZHILQKP-UHFFFAOYSA-N
XLogP-0.27
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate 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

methyl 6-(3-acetylsulfanylprop-1-enyl)-3-aminopyrazine-2-carboxylate
CID 169457903
4-(6-methylpyrazin-2-yl)but-3-enamide
CID 170797338
methyl 3-amino-6-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]pyrazine-2-carboxylate
CID 170806936
4-(5-bromopyrazin-2-yl)but-3-enamide
CID 170798931
4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide
CID 170798259
4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid
CID 170484144
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate
CID 68651564
methyl 6-amino-5-(4-methoxy-4-oxobut-1-enyl)pyridine-3-carboxylate
CID 170501488
4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide
CID 170797876
methyl 2-amino-5-(4-ethoxy-4-oxobut-1-enyl)pyridine-3-carboxylate
CID 170796737
4-(2-amino-1,3-thiazol-5-yl)but-3-enamide
CID 170797289

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate (CID 170798601) is methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate is COC(=O)c1nc(C=CCC(N)=O)cnc1N.
What is the InChIKey of methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate?
The InChIKey is QEAGIIIZHILQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-17-10(16)8-9(12)13-5-6(14-8)3-2-4-7(11)15/h2-3,5H,4H2,1H3,(H2,11,15)(H2,12,13).
What are the key properties of methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate?
methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate has a molecular weight of 236.23 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate is sourced from PubChem (CID 170798601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).