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

C19H16ClF3N4 — CID 134790000

IUPAC3-(4-chlorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1ccc(CN2CCn3c(nnc3-c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H16ClF3N4/c20-16-7-3-14(4-8-16)18-25-24-17-12-26(9-10-27(17)18)11-13-1-5-15(6-2-13)19(21,22)23/h1-8H,9-12H2
InChIKeyXFNMTECBAXOVAE-UHFFFAOYSA-N
MW392.81 g/mol
LogP4.63
Rot. Bonds3

About 3-(4-chlorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-(4-chlorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134790000) has the molecular formula C19H16ClF3N4 and a molecular weight of 392.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134790000
Molecular FormulaC19H16ClF3N4
Molecular Weight392.81 g/mol
Exact Mass392.10
IUPAC Name3-(4-chlorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1ccc(CN2CCn3c(nnc3-c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H16ClF3N4/c20-16-7-3-14(4-8-16)18-25-24-17-12-26(9-10-27(17)18)11-13-1-5-15(6-2-13)19(21,22)23/h1-8H,9-12H2
InChIKeyXFNMTECBAXOVAE-UHFFFAOYSA-N
XLogP4.63
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(4-chlorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134790000) is 3-(4-chlorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(4-chlorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(4-chlorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)c1ccc(CN2CCn3c(nnc3-c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XFNMTECBAXOVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4/c20-16-7-3-14(4-8-16)18-25-24-17-12-26(9-10-27(17)18)11-13-1-5-15(6-2-13)19(21,22)23/h1-8H,9-12H2.
What are the key properties of 3-(4-chlorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-(4-chlorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 392.81 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134790000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).