5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid

C16H17F3N4O3 — CID 155250183

IUPAC5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1NC1CCC(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H17F3N4O3/c17-16(18,19)26-12-7-3-10(4-8-12)9-1-5-11(6-2-9)20-14-13(15(24)25)21-23-22-14/h3-4,7-9,11H,1-2,5-6H2,(H,24,25)(H2,20,21,22,23)
InChIKeyONELHRPVFLIXRT-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.54
Rot. Bonds5

About 5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid

5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid (PubChem CID 155250183) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is 5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid
PubChem CID155250183
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC Name5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1NC1CCC(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H17F3N4O3/c17-16(18,19)26-12-7-3-10(4-8-12)9-1-5-11(6-2-9)20-14-13(15(24)25)21-23-22-14/h3-4,7-9,11H,1-2,5-6H2,(H,24,25)(H2,20,21,22,23)
InChIKeyONELHRPVFLIXRT-UHFFFAOYSA-N
XLogP3.54
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid 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

5-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]sulfanyl-2H-triazole-4-carboxylic acid
CID 155250507
1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
CID 159374732
(E)-4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]but-2-enoic acid
CID 67844168
4-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methoxy]-1H-triazole-5-carboxylic acid
CID 155250345
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
1-[5-(cyclopropylamino)-2-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethanone
CID 46262553
5-[4-[2-chloro-5-(trifluoromethoxy)phenyl]cyclohexyl]sulfanyl-2H-triazole-4-carboxylic acid
CID 155250536
N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 166236139
[4-[4-(trifluoromethoxy)phenyl]cyclohexyl] pent-4-enoate
CID 139645778
(E)-3-amino-2-hydrazinyl-3-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]sulfanylprop-2-enoic acid
CID 142618046
3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 86665502
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid?
The IUPAC name of 5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid (CID 155250183) is 5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid.
What is the SMILES notation for 5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid?
The canonical SMILES for 5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid is O=C(O)c1n[nH]nc1NC1CCC(c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid?
The InChIKey is ONELHRPVFLIXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3/c17-16(18,19)26-12-7-3-10(4-8-12)9-1-5-11(6-2-9)20-14-13(15(24)25)21-23-22-14/h3-4,7-9,11H,1-2,5-6H2,(H,24,25)(H2,20,21,22,23).
What are the key properties of 5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid?
5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid has a molecular weight of 370.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]amino]-2H-triazole-4-carboxylic acid is sourced from PubChem (CID 155250183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).