4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole

C12H18F3N3O — CID 104622982

IUPAC4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
SMILESCOCCn1cnnc1C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H18F3N3O/c1-19-7-6-18-8-16-17-11(18)9-4-2-3-5-10(9)12(13,14)15/h8-10H,2-7H2,1H3
InChIKeyZJEJQVGZHHVSAN-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.76
Rot. Bonds4

About 4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole

4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole (PubChem CID 104622982) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
PubChem CID104622982
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
SMILESCOCCn1cnnc1C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H18F3N3O/c1-19-7-6-18-8-16-17-11(18)9-4-2-3-5-10(9)12(13,14)15/h8-10H,2-7H2,1H3
InChIKeyZJEJQVGZHHVSAN-UHFFFAOYSA-N
XLogP2.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4,4-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 81934435
[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
4-Ethyl-3-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 81934739
4-Ethyl-3-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 81934784
3-(4,4-Difluorocyclohexyl)-4-ethyl-1,2,4-triazole
CID 81934785
[4-Propyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934849
4-Propyl-3-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 81934850
[5-(4,4-Difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 81934891
4-Propyl-3-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 81934892
3-(4,4-Difluorocyclohexyl)-4-propyl-1,2,4-triazole
CID 81934893
4-(2-Methylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 81934987

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole (CID 104622982) is 4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole is COCCn1cnnc1C1CCCCC1C(F)(F)F.
What is the InChIKey of 4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole?
The InChIKey is ZJEJQVGZHHVSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-19-7-6-18-8-16-17-11(18)9-4-2-3-5-10(9)12(13,14)15/h8-10H,2-7H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole?
4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole has a molecular weight of 277.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole is sourced from PubChem (CID 104622982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).