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

C17H13F3N4O2 — CID 174482407

IUPAC2-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,2,4-triazole-3-carboxamide
SMILESCn1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)nc1C(N)=O
InChIInChI=1S/C17H13F3N4O2/c1-24-16(14(21)25)22-15(23-24)11-6-4-5-10(9-11)12-7-2-3-8-13(12)26-17(18,19)20/h2-9H,1H3,(H2,21,25)
InChIKeyFCADXQAJRMYPAO-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.15
Rot. Bonds4

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

2-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,2,4-triazole-3-carboxamide (PubChem CID 174482407) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 2-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,2,4-triazole-3-carboxamide
PubChem CID174482407
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name2-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,2,4-triazole-3-carboxamide
SMILESCn1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)nc1C(N)=O
InChIInChI=1S/C17H13F3N4O2/c1-24-16(14(21)25)22-15(23-24)11-6-4-5-10(9-11)12-7-2-3-8-13(12)26-17(18,19)20/h2-9H,1H3,(H2,21,25)
InChIKeyFCADXQAJRMYPAO-UHFFFAOYSA-N
XLogP3.15
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-3-[2-(trifluoromethoxy)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11625219
3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)biphenyl-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 11270356
2-[3-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide
CID 71555508
2-[5-(3-methoxyphenyl)-3-[4-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide
CID 90370622
MK-274
CID 53316396
3-(2-Methoxyphenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17504219
3-(2-methoxy-5-methylphenyl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide
CID 132424091
3-[3-(2-Trifluoromethoxyphenyl)-phenyl]-1,2,4-triazole
CID 9796504
5-[3-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-1H-1,2,4-triazole
CID 9818477
5-[2-fluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole
CID 9973453
3-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 9975021
3-[2-fluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 9976133

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,2,4-triazole-3-carboxamide (CID 174482407) is 2-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,2,4-triazole-3-carboxamide is Cn1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)nc1C(N)=O.
What is the InChIKey of 2-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is FCADXQAJRMYPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-24-16(14(21)25)22-15(23-24)11-6-4-5-10(9-11)12-7-2-3-8-13(12)26-17(18,19)20/h2-9H,1H3,(H2,21,25).
What are the key properties of 2-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,2,4-triazole-3-carboxamide?
2-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 174482407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).