4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid

C12H16N2O3 — CID 162681054

IUPAC4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid
SMILESCc1cnc(OC2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C12H16N2O3/c1-8-6-14-11(7-13-8)17-10-4-2-9(3-5-10)12(15)16/h6-7,9-10H,2-5H2,1H3,(H,15,16)
InChIKeyISSYOCYOACDFED-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.81
Rot. Bonds3

About 4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid

4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid (PubChem CID 162681054) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid
PubChem CID162681054
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid
SMILESCc1cnc(OC2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C12H16N2O3/c1-8-6-14-11(7-13-8)17-10-4-2-9(3-5-10)12(15)16/h6-7,9-10H,2-5H2,1H3,(H,15,16)
InChIKeyISSYOCYOACDFED-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyloxy-N,N-dimethylpyrazin-2-amine
CID 133061297
2-[3-(5-methylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanol
CID 142368254
4-[[5-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 70853726
4-(2,6-dimethylpyrimidin-4-yl)oxycyclohexane-1-carbohydrazide
CID 67421444
4-trimethylsilyloxycyclohexane-1-carboxylic acid
CID 142719809
4-[(3-methoxy-5-nitro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid
CID 58231059
trans-(1S,3S)-3-[5-[5-(bromomethyl)-1-methyltriazol-4-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylic acid
CID 166666165
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 66279255
4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 58230961
4-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 157011651
4-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525747

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid (CID 162681054) is 4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid is Cc1cnc(OC2CCC(C(=O)O)CC2)cn1.
What is the InChIKey of 4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid?
The InChIKey is ISSYOCYOACDFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-6-14-11(7-13-8)17-10-4-2-9(3-5-10)12(15)16/h6-7,9-10H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid?
4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrazin-2-yl)oxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 162681054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).