YRIQSSIKGYVUAR-UHFFFAOYSA-N

Name: YRIQSSIKGYVUAR-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₆H₂₁F₆N₅O₄ — CID 15574966

Data last refreshed: 2026-04-14 (MolForge compound catalog, from PubChem)

IUPAC3,3-dimethyl-1-(1,2,4-triazol-1-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one

SMILESCC(C)(COc1ccc(C(F)(F)F)cn1)C(=O)C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)n1cncn1

InChIInChI=1S/C26H21F6N5O4/c1-24(2,13-39-20-9-3-16(11-34-20)25(27,28)29)22(38)23(37-15-33-14-36-37)41-19-7-5-18(6-8-19)40-21-10-4-17(12-35-21)26(30,31)32/h3-12,14-15,23H,13H2,1-2H3

InChIKeyYRIQSSIKGYVUAR-UHFFFAOYSA-N

MW581.47 g/mol

LogP6.15

Rot. Bonds10

About YRIQSSIKGYVUAR-UHFFFAOYSA-N

YRIQSSIKGYVUAR-UHFFFAOYSA-N (PubChem CID 15574966) has the molecular formula C₂₆H₂₁F₆N₅O₄ and a molecular weight of 581.47 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one.

Molecular Properties

Compound Name	YRIQSSIKGYVUAR-UHFFFAOYSA-N
PubChem CID	15574966
Molecular Formula	C₂₆H₂₁F₆N₅O₄
Molecular Weight	581.47 g/mol
Exact Mass	581.15
IUPAC Name	3,3-dimethyl-1-(1,2,4-triazol-1-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one
SMILES	CC(C)(COc1ccc(C(F)(F)F)cn1)C(=O)C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)n1cncn1
InChI	InChI=1S/C26H21F6N5O4/c1-24(2,13-39-20-9-3-16(11-34-20)25(27,28)29)22(38)23(37-15-33-14-36-37)41-19-7-5-18(6-8-19)40-21-10-4-17(12-35-21)26(30,31)32/h3-12,14-15,23H,13H2,1-2H3
InChIKey	YRIQSSIKGYVUAR-UHFFFAOYSA-N
XLogP	6.15
TPSA	101.25 Å²
H-Bond Donors
H-Bond Acceptors	9
Rotatable Bonds	10
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.47
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of YRIQSSIKGYVUAR-UHFFFAOYSA-N?

The IUPAC name of YRIQSSIKGYVUAR-UHFFFAOYSA-N (CID 15574966) is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one.

What is the SMILES notation for YRIQSSIKGYVUAR-UHFFFAOYSA-N?

The canonical SMILES for YRIQSSIKGYVUAR-UHFFFAOYSA-N is CC(C)(COc1ccc(C(F)(F)F)cn1)C(=O)C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)n1cncn1.

What is the InChIKey of YRIQSSIKGYVUAR-UHFFFAOYSA-N?

The InChIKey is YRIQSSIKGYVUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F6N5O4/c1-24(2,13-39-20-9-3-16(11-34-20)25(27,28)29)22(38)23(37-15-33-14-36-37)41-19-7-5-18(6-8-19)40-21-10-4-17(12-35-21)26(30,31)32/h3-12,14-15,23H,13H2,1-2H3.

What are the key properties of YRIQSSIKGYVUAR-UHFFFAOYSA-N?

YRIQSSIKGYVUAR-UHFFFAOYSA-N has a molecular weight of 581.47 g/mol, XLogP of 6.15, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for YRIQSSIKGYVUAR-UHFFFAOYSA-N is sourced from PubChem (CID 15574966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 15574966 — identifiers, structure, computed properties (public domain)

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