3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid

C9H11N3O3 — CID 5183646

IUPAC3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
SMILESCC(C)NC(=O)c1nccnc1C(=O)O
InChIInChI=1S/C9H11N3O3/c1-5(2)12-8(13)6-7(9(14)15)11-4-3-10-6/h3-5H,1-2H3,(H,12,13)(H,14,15)
InChIKeyYGUWFBPBECUEQL-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.31
Rot. Bonds3

About 3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid

3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid (PubChem CID 5183646) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
PubChem CID5183646
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
SMILESCC(C)NC(=O)c1nccnc1C(=O)O
InChIInChI=1S/C9H11N3O3/c1-5(2)12-8(13)6-7(9(14)15)11-4-3-10-6/h3-5H,1-2H3,(H,12,13)(H,14,15)
InChIKeyYGUWFBPBECUEQL-UHFFFAOYSA-N
XLogP0.31
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid (CID 5183646) is 3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid is CC(C)NC(=O)c1nccnc1C(=O)O.
What is the InChIKey of 3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid?
The InChIKey is YGUWFBPBECUEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-5(2)12-8(13)6-7(9(14)15)11-4-3-10-6/h3-5H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid?
3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylcarbamoyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 5183646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).