6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

C40H30ClF4N9 — CID 70599031

IUPAC6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2ccc(-c3ccc(Cl)cc3)cn12.Cc1nnc2ccc(-c3cccc(F)c3)cn12.Cc1nnc2cccc(-c3ccccc3C(F)(F)F)n12
InChIInChI=1S/C14H10F3N3.C13H10ClN3.C13H10FN3/c1-9-18-19-13-8-4-7-12(20(9)13)10-5-2-3-6-11(10)14(15,16)17;1-9-15-16-13-7-4-11(8-17(9)13)10-2-5-12(14)6-3-10;1-9-15-16-13-6-5-11(8-17(9)13)10-3-2-4-12(14)7-10/h2-8H,1H3;2*2-8H,1H3
InChIKeyQYMXOPXYWXTMCU-UHFFFAOYSA-N
MW748.19 g/mol
LogP9.93
Rot. Bonds3

About 6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 70599031) has the molecular formula C40H30ClF4N9 and a molecular weight of 748.19 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID70599031
Molecular FormulaC40H30ClF4N9
Molecular Weight748.19 g/mol
Exact Mass747.22
IUPAC Name6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2ccc(-c3ccc(Cl)cc3)cn12.Cc1nnc2ccc(-c3cccc(F)c3)cn12.Cc1nnc2cccc(-c3ccccc3C(F)(F)F)n12
InChIInChI=1S/C14H10F3N3.C13H10ClN3.C13H10FN3/c1-9-18-19-13-8-4-7-12(20(9)13)10-5-2-3-6-11(10)14(15,16)17;1-9-15-16-13-7-4-11(8-17(9)13)10-2-5-12(14)6-3-10;1-9-15-16-13-6-5-11(8-17(9)13)10-3-2-4-12(14)7-10/h2-8H,1H3;2*2-8H,1H3
InChIKeyQYMXOPXYWXTMCU-UHFFFAOYSA-N
XLogP9.93
TPSA90.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.19
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 70599031) is 6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2ccc(-c3ccc(Cl)cc3)cn12.Cc1nnc2ccc(-c3cccc(F)c3)cn12.Cc1nnc2cccc(-c3ccccc3C(F)(F)F)n12.
What is the InChIKey of 6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QYMXOPXYWXTMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3.C13H10ClN3.C13H10FN3/c1-9-18-19-13-8-4-7-12(20(9)13)10-5-2-3-6-11(10)14(15,16)17;1-9-15-16-13-7-4-11(8-17(9)13)10-2-5-12(14)6-3-10;1-9-15-16-13-6-5-11(8-17(9)13)10-3-2-4-12(14)7-10/h2-8H,1H3;2*2-8H,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 748.19 g/mol, XLogP of 9.93, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 70599031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).