[4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol

C13H20F3N3O2 — CID 104622973

IUPAC[4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H20F3N3O2/c1-21-7-6-19-11(8-20)17-18-12(19)9-4-2-3-5-10(9)13(14,15)16/h9-10,20H,2-8H2,1H3
InChIKeyYVEMLYFHBUIXQZ-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.25
Rot. Bonds5

About [4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol

[4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 104622973) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
PubChem CID104622973
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name[4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H20F3N3O2/c1-21-7-6-19-11(8-20)17-18-12(19)9-4-2-3-5-10(9)13(14,15)16/h9-10,20H,2-8H2,1H3
InChIKeyYVEMLYFHBUIXQZ-UHFFFAOYSA-N
XLogP2.25
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143
[4-Tert-butyl-5-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-yl]methanol
CID 81934215
[5-(4,4-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 81934435
[4-Propan-2-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934463
[4-Propan-2-yl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934490
[5-(4,4-Difluorocyclohexyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 81934511
[4-Cyclopropyl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934529
[4-Cyclopropyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934550
[4-Cyclopropyl-5-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-yl]methanol
CID 81934572
[4-Ethyl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934653
[4-Ethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934695
[5-(4,4-Difluorocyclohexyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 81934737

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol (CID 104622973) is [4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1C1CCCCC1C(F)(F)F.
What is the InChIKey of [4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is YVEMLYFHBUIXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-21-7-6-19-11(8-20)17-18-12(19)9-4-2-3-5-10(9)13(14,15)16/h9-10,20H,2-8H2,1H3.
What are the key properties of [4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol?
[4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 307.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 104622973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).