1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol

C12H15F3N2O2 — CID 104514611

IUPAC1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCOc1nccnc1C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2O2/c1-19-10-9(16-5-6-17-10)11(18)4-2-3-8(7-11)12(13,14)15/h5-6,8,18H,2-4,7H2,1H3
InChIKeyBUEBBWOXARRBMA-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.43
Rot. Bonds2

About 1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 104514611) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID104514611
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCOc1nccnc1C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2O2/c1-19-10-9(16-5-6-17-10)11(18)4-2-3-8(7-11)12(13,14)15/h5-6,8,18H,2-4,7H2,1H3
InChIKeyBUEBBWOXARRBMA-UHFFFAOYSA-N
XLogP2.43
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
CID 587218
2-(1-Hydroxy-1-methylpropyl)-3-methoxypyrazine
CID 101731875
1-(5-Fluoro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11287622
1-Pyrazin-2-yl-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757233
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312622
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312623
1-(3,5-Dimethoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 104368409
1-(3,5-Dimethoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 104368410
1-(3,5-Dimethoxypyrazin-2-yl)-4,4,4-trifluorobutan-1-ol
CID 104368857
1-(3-Methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 104514610
1-(3-Methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 104514814
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol
CID 104515084

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 104514611) is 1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol is COc1nccnc1C1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is BUEBBWOXARRBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-19-10-9(16-5-6-17-10)11(18)4-2-3-8(7-11)12(13,14)15/h5-6,8,18H,2-4,7H2,1H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 276.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 104514611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).