methyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate

C12H11N3O3 — CID 155689393

IUPACmethyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(O)c2)cnc1N
InChIInChI=1S/C12H11N3O3/c1-18-12(17)10-11(13)14-6-9(15-10)7-3-2-4-8(16)5-7/h2-6,16H,1H3,(H2,13,14)
InChIKeyOMCUKZGABUCRBC-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.22
Rot. Bonds2

About methyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate

methyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate (PubChem CID 155689393) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is methyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate
PubChem CID155689393
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Namemethyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(O)c2)cnc1N
InChIInChI=1S/C12H11N3O3/c1-18-12(17)10-11(13)14-6-9(15-10)7-3-2-4-8(16)5-7/h2-6,16H,1H3,(H2,13,14)
InChIKeyOMCUKZGABUCRBC-UHFFFAOYSA-N
XLogP1.22
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate (CID 155689393) is methyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate is COC(=O)c1nc(-c2cccc(O)c2)cnc1N.
What is the InChIKey of methyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate?
The InChIKey is OMCUKZGABUCRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-18-12(17)10-11(13)14-6-9(15-10)7-3-2-4-8(16)5-7/h2-6,16H,1H3,(H2,13,14).
What are the key properties of methyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate?
methyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate has a molecular weight of 245.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 155689393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).