1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol

C19H17F3N4O4 — CID 142410796

IUPAC1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)c1ccc(Oc2ccc(C3OCCO3)cc2)nc1C(F)(F)F
InChIInChI=1S/C19H17F3N4O4/c20-19(21,22)17-14(15(27)9-26-11-23-10-24-26)5-6-16(25-17)30-13-3-1-12(2-4-13)18-28-7-8-29-18/h1-6,10-11,15,18,27H,7-9H2
InChIKeyZTGMIVNWBHOYMV-UHFFFAOYSA-N
MW422.36 g/mol
LogP3.26
Rot. Bonds6

About 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol

1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 142410796) has the molecular formula C19H17F3N4O4 and a molecular weight of 422.36 g/mol. Its IUPAC name is 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID142410796
Molecular FormulaC19H17F3N4O4
Molecular Weight422.36 g/mol
Exact Mass422.12
IUPAC Name1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)c1ccc(Oc2ccc(C3OCCO3)cc2)nc1C(F)(F)F
InChIInChI=1S/C19H17F3N4O4/c20-19(21,22)17-14(15(27)9-26-11-23-10-24-26)5-6-16(25-17)30-13-3-1-12(2-4-13)18-28-7-8-29-18/h1-6,10-11,15,18,27H,7-9H2
InChIKeyZTGMIVNWBHOYMV-UHFFFAOYSA-N
XLogP3.26
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol
CID 126601534
6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 146343610
(2R)-2-[6-(4-methylphenoxy)-2-(trifluoromethyl)-3-pyridinyl]-1-(1,2,4-triazol-1-yl)propan-2-ol
CID 137370046
1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanone
CID 126601519
trimethyl-[2-[4-[[5-[3-(1,2,4-triazol-1-yl)prop-1-en-2-yl]-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethynyl]-λ4-sulfane
CID 142410789
1-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]pentyl]-1,2,4-triazole
CID 141399071
1-[2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]pentyl]-1,2,4-triazole
CID 137408347
(E)-1-[4-(1,3-dioxolan-2-yl)phenyl]-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pent-1-en-3-ol
CID 13364764
1-[6-[(6-bromo-3-pyridinyl)oxy]-2-(trifluoromethyl)-3-pyridinyl]-2-chloroethanone;1-[6-[(6-bromo-3-pyridinyl)oxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanone;4H-imidazole
CID 159660802
(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
CID 51669163
1-[2-chloro-6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanone
CID 134366643
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 175114799

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol (CID 142410796) is 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol is OC(Cn1cncn1)c1ccc(Oc2ccc(C3OCCO3)cc2)nc1C(F)(F)F.
What is the InChIKey of 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is ZTGMIVNWBHOYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O4/c20-19(21,22)17-14(15(27)9-26-11-23-10-24-26)5-6-16(25-17)30-13-3-1-12(2-4-13)18-28-7-8-29-18/h1-6,10-11,15,18,27H,7-9H2.
What are the key properties of 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol?
1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 422.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 142410796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).