5,6-di(propan-2-yl)pyrazine-2-carboxylic acid

C11H16N2O2 — CID 22493535

IUPAC5,6-di(propan-2-yl)pyrazine-2-carboxylic acid
SMILESCC(C)c1ncc(C(=O)O)nc1C(C)C
InChIInChI=1S/C11H16N2O2/c1-6(2)9-10(7(3)4)13-8(5-12-9)11(14)15/h5-7H,1-4H3,(H,14,15)
InChIKeyQCJDBEJVYBKFQS-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.42
Rot. Bonds3

About 5,6-di(propan-2-yl)pyrazine-2-carboxylic acid

5,6-di(propan-2-yl)pyrazine-2-carboxylic acid (PubChem CID 22493535) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5,6-di(propan-2-yl)pyrazine-2-carboxylic acid
PubChem CID22493535
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5,6-di(propan-2-yl)pyrazine-2-carboxylic acid
SMILESCC(C)c1ncc(C(=O)O)nc1C(C)C
InChIInChI=1S/C11H16N2O2/c1-6(2)9-10(7(3)4)13-8(5-12-9)11(14)15/h5-7H,1-4H3,(H,14,15)
InChIKeyQCJDBEJVYBKFQS-UHFFFAOYSA-N
XLogP2.42
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5,6-di(propan-2-yl)pyrazine-2-carboxylic acid (CID 22493535) is 5,6-di(propan-2-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5,6-di(propan-2-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5,6-di(propan-2-yl)pyrazine-2-carboxylic acid is CC(C)c1ncc(C(=O)O)nc1C(C)C.
What is the InChIKey of 5,6-di(propan-2-yl)pyrazine-2-carboxylic acid?
The InChIKey is QCJDBEJVYBKFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6(2)9-10(7(3)4)13-8(5-12-9)11(14)15/h5-7H,1-4H3,(H,14,15).
What are the key properties of 5,6-di(propan-2-yl)pyrazine-2-carboxylic acid?
5,6-di(propan-2-yl)pyrazine-2-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 22493535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).