methyl 3-amino-6-phenylpyrazine-2-carboxylate

C12H11N3O2 — CID 12841581

IUPACmethyl 3-amino-6-phenylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)cnc1N
InChIInChI=1S/C12H11N3O2/c1-17-12(16)10-11(13)14-7-9(15-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14)
InChIKeyRVVQRVZLKXYWAR-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.51
Rot. Bonds2

About methyl 3-amino-6-phenylpyrazine-2-carboxylate

methyl 3-amino-6-phenylpyrazine-2-carboxylate (PubChem CID 12841581) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is methyl 3-amino-6-phenylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-phenylpyrazine-2-carboxylate
PubChem CID12841581
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Namemethyl 3-amino-6-phenylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)cnc1N
InChIInChI=1S/C12H11N3O2/c1-17-12(16)10-11(13)14-7-9(15-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14)
InChIKeyRVVQRVZLKXYWAR-UHFFFAOYSA-N
XLogP1.51
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-phenylpyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-phenylpyrazine-2-carboxylate (CID 12841581) is methyl 3-amino-6-phenylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-phenylpyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-phenylpyrazine-2-carboxylate is COC(=O)c1nc(-c2ccccc2)cnc1N.
What is the InChIKey of methyl 3-amino-6-phenylpyrazine-2-carboxylate?
The InChIKey is RVVQRVZLKXYWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-17-12(16)10-11(13)14-7-9(15-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14).
What are the key properties of methyl 3-amino-6-phenylpyrazine-2-carboxylate?
methyl 3-amino-6-phenylpyrazine-2-carboxylate has a molecular weight of 229.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-phenylpyrazine-2-carboxylate is sourced from PubChem (CID 12841581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).