2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine

C15H18F3N5O — CID 167978686

IUPAC2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine
SMILESFC(F)(F)C1(Cn2cc(COc3ncccn3)nn2)CCCCC1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)14(5-2-1-3-6-14)11-23-9-12(21-22-23)10-24-13-19-7-4-8-20-13/h4,7-9H,1-3,5-6,10-11H2
InChIKeyINTSWDSISJHWLF-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.16
Rot. Bonds5

About 2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine

2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine (PubChem CID 167978686) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine
PubChem CID167978686
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine
SMILESFC(F)(F)C1(Cn2cc(COc3ncccn3)nn2)CCCCC1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)14(5-2-1-3-6-14)11-23-9-12(21-22-23)10-24-13-19-7-4-8-20-13/h4,7-9H,1-3,5-6,10-11H2
InChIKeyINTSWDSISJHWLF-UHFFFAOYSA-N
XLogP3.16
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine (CID 167978686) is 2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine is FC(F)(F)C1(Cn2cc(COc3ncccn3)nn2)CCCCC1.
What is the InChIKey of 2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine?
The InChIKey is INTSWDSISJHWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c16-15(17,18)14(5-2-1-3-6-14)11-23-9-12(21-22-23)10-24-13-19-7-4-8-20-13/h4,7-9H,1-3,5-6,10-11H2.
What are the key properties of 2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine?
2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine has a molecular weight of 341.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[1-(trifluoromethyl)cyclohexyl]methyl]triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 167978686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).