UJTOQBQDAYTWPS-NSHDSACASA-N

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

C₂₀H₁₅ClF₄N₄O — CID 118950092

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

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]-[(6S)-3-(4-fluorophenyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

SMILESC[C@H]1Cn2c(nnc2-c2ccc(F)cc2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl

InChIInChI=1S/C20H15ClF4N4O/c1-11-9-29-16(26-27-18(29)12-5-7-13(22)8-6-12)10-28(11)19(30)14-3-2-4-15(17(14)21)20(23,24)25/h2-8,11H,9-10H2,1H3/t11-/m0/s1

InChIKeyUJTOQBQDAYTWPS-NSHDSACASA-N

MW438.81 g/mol

LogP4.80

Rot. Bonds2

About UJTOQBQDAYTWPS-NSHDSACASA-N

UJTOQBQDAYTWPS-NSHDSACASA-N (PubChem CID 118950092) has the molecular formula C₂₀H₁₅ClF₄N₄O and a molecular weight of 438.81 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-[(6S)-3-(4-fluorophenyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name	UJTOQBQDAYTWPS-NSHDSACASA-N
PubChem CID	118950092
Molecular Formula	C₂₀H₁₅ClF₄N₄O
Molecular Weight	438.81 g/mol
Exact Mass	438.09
IUPAC Name	[2-chloro-3-(trifluoromethyl)phenyl]-[(6S)-3-(4-fluorophenyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILES	C[C@H]1Cn2c(nnc2-c2ccc(F)cc2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl
InChI	InChI=1S/C20H15ClF4N4O/c1-11-9-29-16(26-27-18(29)12-5-7-13(22)8-6-12)10-28(11)19(30)14-3-2-4-15(17(14)21)20(23,24)25/h2-8,11H,9-10H2,1H3/t11-/m0/s1
InChIKey	UJTOQBQDAYTWPS-NSHDSACASA-N
XLogP	4.80
TPSA	51.02 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.81
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of UJTOQBQDAYTWPS-NSHDSACASA-N?

The IUPAC name of UJTOQBQDAYTWPS-NSHDSACASA-N (CID 118950092) is [2-chloro-3-(trifluoromethyl)phenyl]-[(6S)-3-(4-fluorophenyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

What is the SMILES notation for UJTOQBQDAYTWPS-NSHDSACASA-N?

The canonical SMILES for UJTOQBQDAYTWPS-NSHDSACASA-N is C[C@H]1Cn2c(nnc2-c2ccc(F)cc2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl.

What is the InChIKey of UJTOQBQDAYTWPS-NSHDSACASA-N?

The InChIKey is UJTOQBQDAYTWPS-NSHDSACASA-N. The full InChI is InChI=1S/C20H15ClF4N4O/c1-11-9-29-16(26-27-18(29)12-5-7-13(22)8-6-12)10-28(11)19(30)14-3-2-4-15(17(14)21)20(23,24)25/h2-8,11H,9-10H2,1H3/t11-/m0/s1.

What are the key properties of UJTOQBQDAYTWPS-NSHDSACASA-N?

UJTOQBQDAYTWPS-NSHDSACASA-N has a molecular weight of 438.81 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for UJTOQBQDAYTWPS-NSHDSACASA-N is sourced from PubChem (CID 118950092), 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 118950092 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.