6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

C19H13Cl2N3 — CID 143380056

IUPAC6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cn12
InChIInChI=1S/C19H13Cl2N3/c1-12-22-23-19-10-16(13-6-8-14(20)9-7-13)17(11-24(12)19)15-4-2-3-5-18(15)21/h2-11H,1H3
InChIKeyPVIYCBAGBRFHMQ-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.68
Rot. Bonds2

About 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 143380056) has the molecular formula C19H13Cl2N3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID143380056
Molecular FormulaC19H13Cl2N3
Molecular Weight354.24 g/mol
Exact Mass353.05
IUPAC Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cn12
InChIInChI=1S/C19H13Cl2N3/c1-12-22-23-19-10-16(13-6-8-14(20)9-7-13)17(11-24(12)19)15-4-2-3-5-18(15)21/h2-11H,1H3
InChIKeyPVIYCBAGBRFHMQ-UHFFFAOYSA-N
XLogP5.68
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-chlorophenyl)-6-(2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;ethane;(E)-3-methylpent-2-ene;N-methylpropan-1-imine;1,1,1-trifluoroethane
CID 143380059
5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline
CID 21488614
1-chloro-2-(4-chlorophenyl)benzene;dichloromethane
CID 175257983
3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine
CID 849920
7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 83679024
3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 10248670
[3-[6-(2-chlorophenyl)-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,1-difluoro-2-methylpropyl]phosphane;ethane
CID 143380078
7-(4-chlorocyclohexa-1,3-dien-1-yl)-6-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-a]pyridine
CID 162582622
6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane
CID 143380032
diethyl 2-(2-chlorophenyl)-5-(4-chlorophenyl)benzene-1,4-dicarboxylate
CID 138461804
6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 69222506
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 171525544

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 143380056) is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cn12.
What is the InChIKey of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PVIYCBAGBRFHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3/c1-12-22-23-19-10-16(13-6-8-14(20)9-7-13)17(11-24(12)19)15-4-2-3-5-18(15)21/h2-11H,1H3.
What are the key properties of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 354.24 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 143380056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).