4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

C15H10F3N5O2 — CID 47995157

IUPAC4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C15H10F3N5O2/c16-15(17,18)13-21-14(23-22-13)20-12(24)9-3-5-10(6-4-9)25-11-2-1-7-19-8-11/h1-8H,(H2,20,21,22,23,24)
InChIKeyQIQBXKXZVIZGCN-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.26
Rot. Bonds4

About 4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 47995157) has the molecular formula C15H10F3N5O2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID47995157
Molecular FormulaC15H10F3N5O2
Molecular Weight349.27 g/mol
Exact Mass349.08
IUPAC Name4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C15H10F3N5O2/c16-15(17,18)13-21-14(23-22-13)20-12(24)9-3-5-10(6-4-9)25-11-2-1-7-19-8-11/h1-8H,(H2,20,21,22,23,24)
InChIKeyQIQBXKXZVIZGCN-UHFFFAOYSA-N
XLogP3.26
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide
CID 11189687
4-pyridin-3-yloxybenzoic acid
CID 22261667
N-(2-hydroxy-6-methylphenyl)-4-pyridin-3-yloxybenzamide
CID 122159109
3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 36580295
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36579992
N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide
CID 60588539
N-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 78928131
2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 43021015
2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 122156299
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 36579789
3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2,1-benzoxazole-5-carboxamide
CID 36580090

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 47995157) is 4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is QIQBXKXZVIZGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O2/c16-15(17,18)13-21-14(23-22-13)20-12(24)9-3-5-10(6-4-9)25-11-2-1-7-19-8-11/h1-8H,(H2,20,21,22,23,24).
What are the key properties of 4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 349.27 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 47995157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).