4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

C16H17F3N4O2 — CID 126785668

IUPAC4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)C1CCC(O)CC1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)13-7-11(3-6-14(13)23-9-20-8-21-23)22-15(25)10-1-4-12(24)5-2-10/h3,6-10,12,24H,1-2,4-5H2,(H,22,25)
InChIKeyRXOJXPOFCZRMLJ-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.78
Rot. Bonds3

About 4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 126785668) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID126785668
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)C1CCC(O)CC1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)13-7-11(3-6-14(13)23-9-20-8-21-23)22-15(25)10-1-4-12(24)5-2-10/h3,6-10,12,24H,1-2,4-5H2,(H,22,25)
InChIKeyRXOJXPOFCZRMLJ-UHFFFAOYSA-N
XLogP2.78
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropanecarbonylamino)-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 86876244
4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
CID 166435239
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 71810832
cis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 97314027
1-butanoyl-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide
CID 86834222
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-3-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]urea
CID 124851627
1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90600327
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 163584041
1-[(2-methoxyphenyl)methyl]-3-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]urea
CID 60614554
(3S)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95163305

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (CID 126785668) is 4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is O=C(Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)C1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is RXOJXPOFCZRMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)13-7-11(3-6-14(13)23-9-20-8-21-23)22-15(25)10-1-4-12(24)5-2-10/h3,6-10,12,24H,1-2,4-5H2,(H,22,25).
What are the key properties of 4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 126785668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).