methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate

C12H11ClN4O2 — CID 95561624

IUPACmethyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(Nc2ccccc2)nc1N
InChIInChI=1S/C12H11ClN4O2/c1-19-12(18)8-10(14)17-11(9(13)16-8)15-7-5-3-2-4-6-7/h2-6H,1H3,(H3,14,15,17)
InChIKeyQJGXKXOVHBBAQW-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.24
Rot. Bonds3

About methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate

methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate (PubChem CID 95561624) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate
PubChem CID95561624
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Namemethyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(Nc2ccccc2)nc1N
InChIInChI=1S/C12H11ClN4O2/c1-19-12(18)8-10(14)17-11(9(13)16-8)15-7-5-3-2-4-6-7/h2-6H,1H3,(H3,14,15,17)
InChIKeyQJGXKXOVHBBAQW-UHFFFAOYSA-N
XLogP2.24
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-amino-5-anilino-6-chloropyrazine-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

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate (CID 95561624) is methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate is COC(=O)c1nc(Cl)c(Nc2ccccc2)nc1N.
What is the InChIKey of methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate?
The InChIKey is QJGXKXOVHBBAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-19-12(18)8-10(14)17-11(9(13)16-8)15-7-5-3-2-4-6-7/h2-6H,1H3,(H3,14,15,17).
What are the key properties of methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate?
methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate has a molecular weight of 278.70 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate is sourced from PubChem (CID 95561624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).