N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide

C13H13F3N4O2 — CID 138052493

IUPACN-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)NC(CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N4O2/c1-20-11(17-7-18-20)12(22)19-10(6-21)8-4-2-3-5-9(8)13(14,15)16/h2-5,7,10,21H,6H2,1H3,(H,19,22)
InChIKeyVHQMXCYPHNYVIX-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.30
Rot. Bonds4

About N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide

N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 138052493) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide
PubChem CID138052493
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC NameN-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)NC(CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N4O2/c1-20-11(17-7-18-20)12(22)19-10(6-21)8-4-2-3-5-9(8)13(14,15)16/h2-5,7,10,21H,6H2,1H3,(H,19,22)
InChIKeyVHQMXCYPHNYVIX-UHFFFAOYSA-N
XLogP1.30
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 138024674
N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 138053674
N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide
CID 138024701
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
CID 61049420
1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 167756112
N-[2-methylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 154491929
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 40548744
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide
CID 142414626
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol
CID 138051733
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide
CID 175265270

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide (CID 138052493) is N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide is Cn1ncnc1C(=O)NC(CO)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is VHQMXCYPHNYVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-20-11(17-7-18-20)12(22)19-10(6-21)8-4-2-3-5-9(8)13(14,15)16/h2-5,7,10,21H,6H2,1H3,(H,19,22).
What are the key properties of N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide?
N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 138052493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).