YRMLQDXUIJJXNK-UHFFFAOYSA-N

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

C₁₅H₆ClF₆N₅ — CID 134457854

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

SMILESFC(F)(F)c1nc2ccc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1

InChIInChI=1S/C15H6ClF6N5/c16-9-4-6(3-7-5-23-25-11(7)9)12-8(14(17,18)19)1-2-10-24-13(15(20,21)22)26-27(10)12/h1-5H,(H,23,25)

InChIKeyYRMLQDXUIJJXNK-UHFFFAOYSA-N

MW405.69 g/mol

LogP4.96

Rot. Bonds1

About YRMLQDXUIJJXNK-UHFFFAOYSA-N

YRMLQDXUIJJXNK-UHFFFAOYSA-N (PubChem CID 134457854) has the molecular formula C₁₅H₆ClF₆N₅ and a molecular weight of 405.69 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name	YRMLQDXUIJJXNK-UHFFFAOYSA-N
PubChem CID	134457854
Molecular Formula	C₁₅H₆ClF₆N₅
Molecular Weight	405.69 g/mol
Exact Mass	405.02
IUPAC Name	5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILES	FC(F)(F)c1nc2ccc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChI	InChI=1S/C15H6ClF6N5/c16-9-4-6(3-7-5-23-25-11(7)9)12-8(14(17,18)19)1-2-10-24-13(15(20,21)22)26-27(10)12/h1-5H,(H,23,25)
InChIKey	YRMLQDXUIJJXNK-UHFFFAOYSA-N
XLogP	4.96
TPSA	58.87 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	1
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.69
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of YRMLQDXUIJJXNK-UHFFFAOYSA-N (CID 134457854) is 5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

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

The canonical SMILES for YRMLQDXUIJJXNK-UHFFFAOYSA-N is FC(F)(F)c1nc2ccc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1.

What is the InChIKey of YRMLQDXUIJJXNK-UHFFFAOYSA-N?

The InChIKey is YRMLQDXUIJJXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF6N5/c16-9-4-6(3-7-5-23-25-11(7)9)12-8(14(17,18)19)1-2-10-24-13(15(20,21)22)26-27(10)12/h1-5H,(H,23,25).

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

YRMLQDXUIJJXNK-UHFFFAOYSA-N has a molecular weight of 405.69 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for YRMLQDXUIJJXNK-UHFFFAOYSA-N is sourced from PubChem (CID 134457854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 134457854 — identifiers, structure, computed properties (public domain)

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