N-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide

C17H13F3N4O2 — CID 10361257

IUPACN-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n[nH]1
InChIInChI=1S/C17H13F3N4O2/c1-21-16(25)15-22-14(23-24-15)11-6-4-5-10(9-11)12-7-2-3-8-13(12)26-17(18,19)20/h2-9H,1H3,(H,21,25)(H,22,23,24)
InChIKeyLCKWMAZIXWVIDO-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.40
Rot. Bonds4

About N-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide

N-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 10361257) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is N-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID10361257
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC NameN-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n[nH]1
InChIInChI=1S/C17H13F3N4O2/c1-21-16(25)15-22-14(23-24-15)11-6-4-5-10(9-11)12-7-2-3-8-13(12)26-17(18,19)20/h2-9H,1H3,(H,21,25)(H,22,23,24)
InChIKeyLCKWMAZIXWVIDO-UHFFFAOYSA-N
XLogP3.40
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 10361257) is N-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide is CNC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n[nH]1.
What is the InChIKey of N-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is LCKWMAZIXWVIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-21-16(25)15-22-14(23-24-15)11-6-4-5-10(9-11)12-7-2-3-8-13(12)26-17(18,19)20/h2-9H,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide?
N-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 10361257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).