1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide

C17H13F3N4O2 — CID 24825087

IUPAC1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C17H13F3N4O2/c1-11-2-6-13(7-3-11)24-10-21-15(23-24)16(25)22-12-4-8-14(9-5-12)26-17(18,19)20/h2-10H,1H3,(H,22,25)
InChIKeyCFMZNQCZRVIPGV-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.73
Rot. Bonds4

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

1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide (PubChem CID 24825087) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide
PubChem CID24825087
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C17H13F3N4O2/c1-11-2-6-13(7-3-11)24-10-21-15(23-24)16(25)22-12-4-8-14(9-5-12)26-17(18,19)20/h2-10H,1H3,(H,22,25)
InChIKeyCFMZNQCZRVIPGV-UHFFFAOYSA-N
XLogP3.73
TPSA69.04 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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate
CID 24825050
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
(1,1,1-trifluoro-2-methylpropan-2-yl) N-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]carbamate
CID 88857811
3-phenyl-N-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]benzamide
CID 118677342
methyl 4-[[1-(4-chlorophenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate
CID 15944326
ethane;methyl 1-(4-methylphenyl)-1,2,4-triazole-3-carboxylate
CID 144636551
2-chloro-5-phenyl-N-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]benzamide
CID 118677276
1-(4-methoxyphenyl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]thiourea
CID 118675195
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19481229
4-fluoro-3-phenyl-N-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]benzamide
CID 118677314
[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]carbamic acid
CID 87430418
1-[2-(trifluoromethoxy)phenyl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea
CID 118675094

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide (CID 24825087) is 1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2cnc(C(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is CFMZNQCZRVIPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-11-2-6-13(7-3-11)24-10-21-15(23-24)16(25)22-12-4-8-14(9-5-12)26-17(18,19)20/h2-10H,1H3,(H,22,25).
What are the key properties of 1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide?
1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 24825087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).