1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid

C12H16N2O2 — CID 96608156

IUPAC1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid
SMILESCc1cnc(C2(C(=O)O)CCCCC2)cn1
InChIInChI=1S/C12H16N2O2/c1-9-7-14-10(8-13-9)12(11(15)16)5-3-2-4-6-12/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyGKLZGWQYWBJDQW-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.07
Rot. Bonds2

About 1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid

1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 96608156) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid
PubChem CID96608156
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid
SMILESCc1cnc(C2(C(=O)O)CCCCC2)cn1
InChIInChI=1S/C12H16N2O2/c1-9-7-14-10(8-13-9)12(11(15)16)5-3-2-4-6-12/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyGKLZGWQYWBJDQW-UHFFFAOYSA-N
XLogP2.07
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid (CID 96608156) is 1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid is Cc1cnc(C2(C(=O)O)CCCCC2)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is GKLZGWQYWBJDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-7-14-10(8-13-9)12(11(15)16)5-3-2-4-6-12/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid?
1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 96608156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).