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

C9H8N4O3 — CID 121350991

IUPAC3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid
SMILESCc1nc(C(=O)O)c(N)nc1-c1ncco1
InChIInChI=1S/C9H8N4O3/c1-4-5(8-11-2-3-16-8)13-7(10)6(12-4)9(14)15/h2-3H,1H3,(H2,10,13)(H,14,15)
InChIKeyAKSVFFIJNJVIRI-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.72
Rot. Bonds2

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

3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid (PubChem CID 121350991) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid
PubChem CID121350991
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid
SMILESCc1nc(C(=O)O)c(N)nc1-c1ncco1
InChIInChI=1S/C9H8N4O3/c1-4-5(8-11-2-3-16-8)13-7(10)6(12-4)9(14)15/h2-3H,1H3,(H2,10,13)(H,14,15)
InChIKeyAKSVFFIJNJVIRI-UHFFFAOYSA-N
XLogP0.72
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.72
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-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid (CID 121350991) is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid is Cc1nc(C(=O)O)c(N)nc1-c1ncco1.
What is the InChIKey of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid?
The InChIKey is AKSVFFIJNJVIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c1-4-5(8-11-2-3-16-8)13-7(10)6(12-4)9(14)15/h2-3H,1H3,(H2,10,13)(H,14,15).
What are the key properties of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid?
3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid has a molecular weight of 220.19 g/mol, XLogP of 0.72, 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-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 121350991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).