RBXNAKMZSWLAQA-UHFFFAOYSA-N

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

C₂₄H₂₃F₃N₆O — CID 66856976

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

IUPAC2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-methyl-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

SMILESCOc1cc(-c2nc3n(n2)CCN(C)C3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1

InChIInChI=1S/C24H23F3N6O/c1-15-13-32(14-28-15)19-9-8-16(12-20(19)34-3)22-29-23-21(31(2)10-11-33(23)30-22)17-6-4-5-7-18(17)24(25,26)27/h4-9,12-14,21H,10-11H2,1-3H3

InChIKeyRBXNAKMZSWLAQA-UHFFFAOYSA-N

MW468.48 g/mol

LogP4.50

Rot. Bonds4

About RBXNAKMZSWLAQA-UHFFFAOYSA-N

RBXNAKMZSWLAQA-UHFFFAOYSA-N (PubChem CID 66856976) has the molecular formula C₂₄H₂₃F₃N₆O and a molecular weight of 468.48 g/mol. Its IUPAC name is 2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-methyl-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name	RBXNAKMZSWLAQA-UHFFFAOYSA-N
PubChem CID	66856976
Molecular Formula	C₂₄H₂₃F₃N₆O
Molecular Weight	468.48 g/mol
Exact Mass	468.19
IUPAC Name	2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-methyl-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILES	COc1cc(-c2nc3n(n2)CCN(C)C3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1
InChI	InChI=1S/C24H23F3N6O/c1-15-13-32(14-28-15)19-9-8-16(12-20(19)34-3)22-29-23-21(31(2)10-11-33(23)30-22)17-6-4-5-7-18(17)24(25,26)27/h4-9,12-14,21H,10-11H2,1-3H3
InChIKey	RBXNAKMZSWLAQA-UHFFFAOYSA-N
XLogP	4.50
TPSA	61.00 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.48
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of RBXNAKMZSWLAQA-UHFFFAOYSA-N (CID 66856976) is 2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-methyl-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

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

The canonical SMILES for RBXNAKMZSWLAQA-UHFFFAOYSA-N is COc1cc(-c2nc3n(n2)CCN(C)C3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1.

What is the InChIKey of RBXNAKMZSWLAQA-UHFFFAOYSA-N?

The InChIKey is RBXNAKMZSWLAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O/c1-15-13-32(14-28-15)19-9-8-16(12-20(19)34-3)22-29-23-21(31(2)10-11-33(23)30-22)17-6-4-5-7-18(17)24(25,26)27/h4-9,12-14,21H,10-11H2,1-3H3.

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

RBXNAKMZSWLAQA-UHFFFAOYSA-N has a molecular weight of 468.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for RBXNAKMZSWLAQA-UHFFFAOYSA-N is sourced from PubChem (CID 66856976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 66856976 — identifiers, structure, computed properties (public domain)

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