6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid

C13H18N2O3 — CID 66455924

IUPAC6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid
SMILESCC1CC(C)CC(Oc2cncc(C(=O)O)n2)C1
InChIInChI=1S/C13H18N2O3/c1-8-3-9(2)5-10(4-8)18-12-7-14-6-11(15-12)13(16)17/h6-10H,3-5H2,1-2H3,(H,16,17)
InChIKeyHNWSMRRDKDONNC-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.38
Rot. Bonds3

About 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid

6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid (PubChem CID 66455924) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid
PubChem CID66455924
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid
SMILESCC1CC(C)CC(Oc2cncc(C(=O)O)n2)C1
InChIInChI=1S/C13H18N2O3/c1-8-3-9(2)5-10(4-8)18-12-7-14-6-11(15-12)13(16)17/h6-10H,3-5H2,1-2H3,(H,16,17)
InChIKeyHNWSMRRDKDONNC-UHFFFAOYSA-N
XLogP2.38
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid?
The IUPAC name of 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid (CID 66455924) is 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid?
The canonical SMILES for 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid is CC1CC(C)CC(Oc2cncc(C(=O)O)n2)C1.
What is the InChIKey of 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid?
The InChIKey is HNWSMRRDKDONNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-3-9(2)5-10(4-8)18-12-7-14-6-11(15-12)13(16)17/h6-10H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid?
6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylic acid is sourced from PubChem (CID 66455924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).