2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine

C19H17F3N4O — CID 70563917

IUPAC2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine
SMILESCC(C)Oc1cc(-c2ncn(C=Cc3ccccn3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O/c1-13(2)27-17-10-14(9-15(11-17)19(20,21)22)18-24-12-26(25-18)8-6-16-5-3-4-7-23-16/h3-13H,1-2H3
InChIKeyQVAMHKVOOSHSDT-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.77
Rot. Bonds5

About 2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine

2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine (PubChem CID 70563917) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine.

Molecular Properties

Compound Name2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine
PubChem CID70563917
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine
SMILESCC(C)Oc1cc(-c2ncn(C=Cc3ccccn3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O/c1-13(2)27-17-10-14(9-15(11-17)19(20,21)22)18-24-12-26(25-18)8-6-16-5-3-4-7-23-16/h3-13H,1-2H3
InChIKeyQVAMHKVOOSHSDT-UHFFFAOYSA-N
XLogP4.77
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine?
The IUPAC name of 2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine (CID 70563917) is 2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine.
What is the SMILES notation for 2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine?
The canonical SMILES for 2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine is CC(C)Oc1cc(-c2ncn(C=Cc3ccccn3)n2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine?
The InChIKey is QVAMHKVOOSHSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-13(2)27-17-10-14(9-15(11-17)19(20,21)22)18-24-12-26(25-18)8-6-16-5-3-4-7-23-16/h3-13H,1-2H3.
What are the key properties of 2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine?
2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine has a molecular weight of 374.37 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]pyridine is sourced from PubChem (CID 70563917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).