1-pyrazin-2-ylcyclohexane-1-carboxylic acid

C11H14N2O2 — CID 96767473

IUPAC1-pyrazin-2-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cnccn2)CCCCC1
InChIInChI=1S/C11H14N2O2/c14-10(15)11(4-2-1-3-5-11)9-8-12-6-7-13-9/h6-8H,1-5H2,(H,14,15)
InChIKeyMBQVYNITSIBDTF-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.76
Rot. Bonds2

About 1-pyrazin-2-ylcyclohexane-1-carboxylic acid

1-pyrazin-2-ylcyclohexane-1-carboxylic acid (PubChem CID 96767473) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-pyrazin-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-pyrazin-2-ylcyclohexane-1-carboxylic acid
PubChem CID96767473
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-pyrazin-2-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cnccn2)CCCCC1
InChIInChI=1S/C11H14N2O2/c14-10(15)11(4-2-1-3-5-11)9-8-12-6-7-13-9/h6-8H,1-5H2,(H,14,15)
InChIKeyMBQVYNITSIBDTF-UHFFFAOYSA-N
XLogP1.76
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-pyrazin-2-ylcyclohexane-1-carboxylic acid (CID 96767473) is 1-pyrazin-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-pyrazin-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-pyrazin-2-ylcyclohexane-1-carboxylic acid is O=C(O)C1(c2cnccn2)CCCCC1.
What is the InChIKey of 1-pyrazin-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is MBQVYNITSIBDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-10(15)11(4-2-1-3-5-11)9-8-12-6-7-13-9/h6-8H,1-5H2,(H,14,15).
What are the key properties of 1-pyrazin-2-ylcyclohexane-1-carboxylic acid?
1-pyrazin-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 96767473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).