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

C13H20F3N3O — CID 104622974

IUPAC[4-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1c(CO)nnc1C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H20F3N3O/c1-8(2)19-11(7-20)17-18-12(19)9-5-3-4-6-10(9)13(14,15)16/h8-10,20H,3-7H2,1-2H3
InChIKeyRUBHUBILPQDNKT-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.19
Rot. Bonds3

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

[4-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 104622974) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is [4-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
PubChem CID104622974
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name[4-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1c(CO)nnc1C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H20F3N3O/c1-8(2)19-11(7-20)17-18-12(19)9-5-3-4-6-10(9)13(14,15)16/h8-10,20H,3-7H2,1-2H3
InChIKeyRUBHUBILPQDNKT-UHFFFAOYSA-N
XLogP3.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 100669946
(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

Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol (CID 104622974) is [4-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol is CC(C)n1c(CO)nnc1C1CCCCC1C(F)(F)F.
What is the InChIKey of [4-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is RUBHUBILPQDNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-8(2)19-11(7-20)17-18-12(19)9-5-3-4-6-10(9)13(14,15)16/h8-10,20H,3-7H2,1-2H3.
What are the key properties of [4-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol?
[4-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 291.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 104622974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).