2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine

C34H26F6N8O2 — CID 162103308

IUPAC2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine
SMILESC#Cc1ccccn1.COc1cc(-c2ncn(/C=C\c3ccccn3)n2)cc(C(F)(F)F)c1.COc1cc(-c2ncn[nH]2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N4O.C10H8F3N3O.C7H5N/c1-25-15-9-12(8-13(10-15)17(18,19)20)16-22-11-24(23-16)7-5-14-4-2-3-6-21-14;1-17-8-3-6(9-14-5-15-16-9)2-7(4-8)10(11,12)13;1-2-7-5-3-4-6-8-7/h2-11H,1H3;2-5H,1H3,(H,14,15,16);1,3-6H/b7-5-;;
InChIKeyZFEDEELQNSGEHD-MWKZNRQPSA-N
MW692.62 g/mol
LogP7.56
Rot. Bonds6

About 2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine

2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine (PubChem CID 162103308) has the molecular formula C34H26F6N8O2 and a molecular weight of 692.62 g/mol. Its IUPAC name is 2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine.

Molecular Properties

Compound Name2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine
PubChem CID162103308
Molecular FormulaC34H26F6N8O2
Molecular Weight692.62 g/mol
Exact Mass692.21
IUPAC Name2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine
SMILESC#Cc1ccccn1.COc1cc(-c2ncn(/C=C\c3ccccn3)n2)cc(C(F)(F)F)c1.COc1cc(-c2ncn[nH]2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N4O.C10H8F3N3O.C7H5N/c1-25-15-9-12(8-13(10-15)17(18,19)20)16-22-11-24(23-16)7-5-14-4-2-3-6-21-14;1-17-8-3-6(9-14-5-15-16-9)2-7(4-8)10(11,12)13;1-2-7-5-3-4-6-8-7/h2-11H,1H3;2-5H,1H3,(H,14,15,16);1,3-6H/b7-5-;;
InChIKeyZFEDEELQNSGEHD-MWKZNRQPSA-N
XLogP7.56
TPSA116.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.62
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[5-[3-(difluoromethoxy)phenyl]-4H-1,2,4-triazol-3-yl]-1-piperidyl]-6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118414234
4-[4-[5-[3-(difluoromethoxy)phenyl]-4H-1,2,4-triazol-3-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413824
2-[5-(2-fluoro-5-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 15957196
2-[5-(2-fluoro-5-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-pyridine
CID 15957264
2-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)pyridine
CID 15957323
2-[5-(2-Fluoro-5-methoxy-phenyl)-1H-[1,2,4]triazol-3-yl]-5-trifluoromethyl-pyridine
CID 15957324
2-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)pyridine
CID 15957345
1-[2-(4-methoxyphenyl)-5-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-1,2,3-triazol-4-yl]-4-(pyridin-2-yl)piperazine
CID 17039227
N-[5-[3-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 25052461
(Z)-2-(2-(3-(3-methoxy-5-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)vinyl)pyridine
CID 57524281
2-[(Z)-2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine
CID 57524430
N-[(3,4-difluorophenyl)methyl]-3-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridin-2-amine
CID 57582090

Frequently Asked Questions

What is the IUPAC name of 2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine?
The IUPAC name of 2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine (CID 162103308) is 2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine.
What is the SMILES notation for 2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine?
The canonical SMILES for 2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine is C#Cc1ccccn1.COc1cc(-c2ncn(/C=C\c3ccccn3)n2)cc(C(F)(F)F)c1.COc1cc(-c2ncn[nH]2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine?
The InChIKey is ZFEDEELQNSGEHD-MWKZNRQPSA-N. The full InChI is InChI=1S/C17H13F3N4O.C10H8F3N3O.C7H5N/c1-25-15-9-12(8-13(10-15)17(18,19)20)16-22-11-24(23-16)7-5-14-4-2-3-6-21-14;1-17-8-3-6(9-14-5-15-16-9)2-7(4-8)10(11,12)13;1-2-7-5-3-4-6-8-7/h2-11H,1H3;2-5H,1H3,(H,14,15,16);1,3-6H/b7-5-;;.
What are the key properties of 2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine?
2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine has a molecular weight of 692.62 g/mol, XLogP of 7.56, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynylpyridine;5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole;2-[(Z)-2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine is sourced from PubChem (CID 162103308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).