(3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol

C13H20F3N3O — CID 105127137

IUPAC(3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCCCn1nncc1C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3O/c1-2-7-19-11(8-17-18-19)12(20)9-3-5-10(6-4-9)13(14,15)16/h8-10,12,20H,2-7H2,1H3
InChIKeyGANQGFYCTSNLMF-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.09
Rot. Bonds4

About (3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol

(3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105127137) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is (3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105127137
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name(3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCCCn1nncc1C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3O/c1-2-7-19-11(8-17-18-19)12(20)9-3-5-10(6-4-9)13(14,15)16/h8-10,12,20H,2-7H2,1H3
InChIKeyGANQGFYCTSNLMF-UHFFFAOYSA-N
XLogP3.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
CID 115834151
6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol
CID 115834042
(2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol
CID 107005461
[(4-propylcyclohexyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105232238
[2-cyclopropyl-1-(3-propyltriazol-4-yl)propyl]hydrazine
CID 105335544
(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114685116
(4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114686506
(4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine
CID 105038676
2-methoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686354
2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038639
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083

Frequently Asked Questions

What is the IUPAC name of (3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (CID 105127137) is (3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is CCCn1nncc1C(O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is GANQGFYCTSNLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-2-7-19-11(8-17-18-19)12(20)9-3-5-10(6-4-9)13(14,15)16/h8-10,12,20H,2-7H2,1H3.
What are the key properties of (3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
(3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 291.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105127137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).