methyl 3-anilinopyrazine-2-carboxylate

C12H11N3O2 — CID 13370930

IUPACmethyl 3-anilinopyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1Nc1ccccc1
InChIInChI=1S/C12H11N3O2/c1-17-12(16)10-11(14-8-7-13-10)15-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChIKeyANJRHIXEBGXIIV-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.01
Rot. Bonds3

About methyl 3-anilinopyrazine-2-carboxylate

methyl 3-anilinopyrazine-2-carboxylate (PubChem CID 13370930) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is methyl 3-anilinopyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-anilinopyrazine-2-carboxylate
PubChem CID13370930
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Namemethyl 3-anilinopyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1Nc1ccccc1
InChIInChI=1S/C12H11N3O2/c1-17-12(16)10-11(14-8-7-13-10)15-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChIKeyANJRHIXEBGXIIV-UHFFFAOYSA-N
XLogP2.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-anilinopyrazine-2-carboxylate?
The IUPAC name of methyl 3-anilinopyrazine-2-carboxylate (CID 13370930) is methyl 3-anilinopyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-anilinopyrazine-2-carboxylate?
The canonical SMILES for methyl 3-anilinopyrazine-2-carboxylate is COC(=O)c1nccnc1Nc1ccccc1.
What is the InChIKey of methyl 3-anilinopyrazine-2-carboxylate?
The InChIKey is ANJRHIXEBGXIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-17-12(16)10-11(14-8-7-13-10)15-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15).
What are the key properties of methyl 3-anilinopyrazine-2-carboxylate?
methyl 3-anilinopyrazine-2-carboxylate has a molecular weight of 229.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-anilinopyrazine-2-carboxylate is sourced from PubChem (CID 13370930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).