3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid

C11H14N4O3 — CID 121351020

IUPAC3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid
SMILESCCN1C(C)=C(c2cnco2)N=C(N)C1C(=O)O
InChIInChI=1S/C11H14N4O3/c1-3-15-6(2)8(7-4-13-5-18-7)14-10(12)9(15)11(16)17/h4-5,9H,3H2,1-2H3,(H2,12,14)(H,16,17)
InChIKeyYFIGCSKWDWZWDZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.51
Rot. Bonds3

About 3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid

3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid (PubChem CID 121351020) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid
PubChem CID121351020
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid
SMILESCCN1C(C)=C(c2cnco2)N=C(N)C1C(=O)O
InChIInChI=1S/C11H14N4O3/c1-3-15-6(2)8(7-4-13-5-18-7)14-10(12)9(15)11(16)17/h4-5,9H,3H2,1-2H3,(H2,12,14)(H,16,17)
InChIKeyYFIGCSKWDWZWDZ-UHFFFAOYSA-N
XLogP0.51
TPSA104.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid (CID 121351020) is 3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid is CCN1C(C)=C(c2cnco2)N=C(N)C1C(=O)O.
What is the InChIKey of 3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid?
The InChIKey is YFIGCSKWDWZWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-3-15-6(2)8(7-4-13-5-18-7)14-10(12)9(15)11(16)17/h4-5,9H,3H2,1-2H3,(H2,12,14)(H,16,17).
What are the key properties of 3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid?
3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-6-methyl-5-(1,3-oxazol-5-yl)-2H-pyrazine-2-carboxylic acid is sourced from PubChem (CID 121351020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).