2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid

C12H16N2O3 — CID 104516749

IUPAC2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid
SMILESCOc1nccnc1C1CCCCC1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-17-11-10(13-6-7-14-11)8-4-2-3-5-9(8)12(15)16/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyMAJZSBXGONGDIX-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.84
Rot. Bonds3

About 2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid

2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 104516749) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid
PubChem CID104516749
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid
SMILESCOc1nccnc1C1CCCCC1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-17-11-10(13-6-7-14-11)8-4-2-3-5-9(8)12(15)16/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyMAJZSBXGONGDIX-UHFFFAOYSA-N
XLogP1.84
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxypyrazin-2-yl)cyclohexan-1-ol
CID 104516306
2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid
CID 114054225
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
N-[[2-(3-methoxypyrazin-2-yl)cyclopentyl]methyl]cyclopropanamine
CID 104516800
(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105126821
2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81008761
1-[(3-methoxypyrazin-2-yl)methyl]piperidine-2-carboxylic acid
CID 71648421
2-(2-methoxy-5-methylphenyl)cycloheptane-1-carboxylic acid
CID 81008451
cis-(1R,2S)-2-(5-bromo-2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid
CID 125470188
2-(2-methylpyrazol-3-yl)cycloheptane-1-carboxylic acid
CID 81020533
2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid
CID 130898178
trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 54256967

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid (CID 104516749) is 2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid is COc1nccnc1C1CCCCC1C(=O)O.
What is the InChIKey of 2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is MAJZSBXGONGDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-11-10(13-6-7-14-11)8-4-2-3-5-9(8)12(15)16/h6-9H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid?
2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrazin-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104516749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).