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

C13H18F3N3O — CID 104622975

IUPAC[4-cyclopropyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(C2CCCCC2C(F)(F)F)n1C1CC1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)10-4-2-1-3-9(10)12-18-17-11(7-20)19(12)8-5-6-8/h8-10,20H,1-7H2
InChIKeyCTQNRSLFRUIBCP-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.94
Rot. Bonds3

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

[4-cyclopropyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 104622975) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is [4-cyclopropyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
PubChem CID104622975
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name[4-cyclopropyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(C2CCCCC2C(F)(F)F)n1C1CC1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)10-4-2-1-3-9(10)12-18-17-11(7-20)19(12)8-5-6-8/h8-10,20H,1-7H2
InChIKeyCTQNRSLFRUIBCP-UHFFFAOYSA-N
XLogP2.94
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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
[4-Propyl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934783

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-cyclopropyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol (CID 104622975) is [4-cyclopropyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-cyclopropyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol is OCc1nnc(C2CCCCC2C(F)(F)F)n1C1CC1.
What is the InChIKey of [4-cyclopropyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is CTQNRSLFRUIBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)10-4-2-1-3-9(10)12-18-17-11(7-20)19(12)8-5-6-8/h8-10,20H,1-7H2.
What are the key properties of [4-cyclopropyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol?
[4-cyclopropyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 289.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 104622975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).