6-propan-2-yloxypyrazine-2-carboxylic acid

C8H10N2O3 — CID 65440453

IUPAC6-propan-2-yloxypyrazine-2-carboxylic acid
SMILESCC(C)Oc1cncc(C(=O)O)n1
InChIInChI=1S/C8H10N2O3/c1-5(2)13-7-4-9-3-6(10-7)8(11)12/h3-5H,1-2H3,(H,11,12)
InChIKeyQWPWKSUQHVINHP-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.96
Rot. Bonds3

About 6-propan-2-yloxypyrazine-2-carboxylic acid

6-propan-2-yloxypyrazine-2-carboxylic acid (PubChem CID 65440453) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-propan-2-yloxypyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-yloxypyrazine-2-carboxylic acid
PubChem CID65440453
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name6-propan-2-yloxypyrazine-2-carboxylic acid
SMILESCC(C)Oc1cncc(C(=O)O)n1
InChIInChI=1S/C8H10N2O3/c1-5(2)13-7-4-9-3-6(10-7)8(11)12/h3-5H,1-2H3,(H,11,12)
InChIKeyQWPWKSUQHVINHP-UHFFFAOYSA-N
XLogP0.96
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid
CID 117212967
6-(2-methylpropoxy)pyrazine-2-carboxylic acid
CID 66456877
pyrazine-2,6-dicarboxylic acid
CID 11601391
6-(3-methylbutoxy)pyrazine-2-carboxylic acid
CID 66456478
6-propan-2-ylpyrazine-2-carboxylic acid
CID 59618308
6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid
CID 66456786
6-(3-methoxypropoxy)pyrazine-2-carboxylic acid
CID 66455715
6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid
CID 66457073
ethane;2-methyl-N-(6-propan-2-yloxypyrazin-2-yl)propanamide
CID 145083687
6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid
CID 66455924
2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid
CID 139519387
2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid
CID 80539579

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxypyrazine-2-carboxylic acid?
The IUPAC name of 6-propan-2-yloxypyrazine-2-carboxylic acid (CID 65440453) is 6-propan-2-yloxypyrazine-2-carboxylic acid.
What is the SMILES notation for 6-propan-2-yloxypyrazine-2-carboxylic acid?
The canonical SMILES for 6-propan-2-yloxypyrazine-2-carboxylic acid is CC(C)Oc1cncc(C(=O)O)n1.
What is the InChIKey of 6-propan-2-yloxypyrazine-2-carboxylic acid?
The InChIKey is QWPWKSUQHVINHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5(2)13-7-4-9-3-6(10-7)8(11)12/h3-5H,1-2H3,(H,11,12).
What are the key properties of 6-propan-2-yloxypyrazine-2-carboxylic acid?
6-propan-2-yloxypyrazine-2-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxypyrazine-2-carboxylic acid is sourced from PubChem (CID 65440453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).