3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid

C10H10N4O3 — CID 125487801

IUPAC3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid
SMILESCc1coc(-c2nc(N)c(C(=O)O)nc2C)n1
InChIInChI=1S/C10H10N4O3/c1-4-3-17-9(12-4)6-5(2)13-7(10(15)16)8(11)14-6/h3H,1-2H3,(H2,11,14)(H,15,16)
InChIKeyDLNBTPILMMDMES-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.03
Rot. Bonds2

About 3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid

3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid (PubChem CID 125487801) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid
PubChem CID125487801
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid
SMILESCc1coc(-c2nc(N)c(C(=O)O)nc2C)n1
InChIInChI=1S/C10H10N4O3/c1-4-3-17-9(12-4)6-5(2)13-7(10(15)16)8(11)14-6/h3H,1-2H3,(H2,11,14)(H,15,16)
InChIKeyDLNBTPILMMDMES-UHFFFAOYSA-N
XLogP1.03
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid (CID 125487801) is 3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid is Cc1coc(-c2nc(N)c(C(=O)O)nc2C)n1.
What is the InChIKey of 3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid?
The InChIKey is DLNBTPILMMDMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-4-3-17-9(12-4)6-5(2)13-7(10(15)16)8(11)14-6/h3H,1-2H3,(H2,11,14)(H,15,16).
What are the key properties of 3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid?
3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid has a molecular weight of 234.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-5-(4-methyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 125487801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).