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

C19H13ClF4N4O — CID 66599261

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1
InChIInChI=1S/C19H13ClF4N4O/c20-16-13(2-1-3-14(16)19(22,23)24)18(29)27-8-9-28-15(10-27)25-26-17(28)11-4-6-12(21)7-5-11/h1-7H,8-10H2
InChIKeyCGXSPIMMMGDAPS-UHFFFAOYSA-N
MW424.79 g/mol
LogP4.41
Rot. Bonds2

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

[2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 66599261) has the molecular formula C19H13ClF4N4O and a molecular weight of 424.79 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID66599261
Molecular FormulaC19H13ClF4N4O
Molecular Weight424.79 g/mol
Exact Mass424.07
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1
InChIInChI=1S/C19H13ClF4N4O/c20-16-13(2-1-3-14(16)19(22,23)24)18(29)27-8-9-28-15(10-27)25-26-17(28)11-4-6-12(21)7-5-11/h1-7H,8-10H2
InChIKeyCGXSPIMMMGDAPS-UHFFFAOYSA-N
XLogP4.41
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.79
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 66599261) is [2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1.
What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is CGXSPIMMMGDAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF4N4O/c20-16-13(2-1-3-14(16)19(22,23)24)18(29)27-8-9-28-15(10-27)25-26-17(28)11-4-6-12(21)7-5-11/h1-7H,8-10H2.
What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 424.79 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 66599261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).