6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C13H13Cl2N5 — CID 165415321

IUPAC6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nccn3C)nn12
InChIInChI=1S/C13H13Cl2N5/c1-8-9(14)7-10(15)13-17-11(18-20(8)13)3-4-12-16-5-6-19(12)2/h5-7H,3-4H2,1-2H3
InChIKeySFWBHUCUHOYZEX-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.86
Rot. Bonds3

About 6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165415321) has the molecular formula C13H13Cl2N5 and a molecular weight of 310.19 g/mol. Its IUPAC name is 6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165415321
Molecular FormulaC13H13Cl2N5
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nccn3C)nn12
InChIInChI=1S/C13H13Cl2N5/c1-8-9(14)7-10(15)13-17-11(18-20(8)13)3-4-12-16-5-6-19(12)2/h5-7H,3-4H2,1-2H3
InChIKeySFWBHUCUHOYZEX-UHFFFAOYSA-N
XLogP2.86
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

IRAK4 inhibitor rac-45
CID 25169383
6,8-Dichloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72705281
NS13001
CID 44472568
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
6-Chloro-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 90026630
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965
((6-Chloroimidazo(1,2-a)pyridin-2-yl)methyl)(methyl)amine
CID 4626209
3-Chloro-2-methyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethynyl)imidazo[1,2-b]pyridazine
CID 75201473
2-Methyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethynyl)imidazo[1,2-b]pyridazine
CID 75201475
(E)-2-(2-(4-bromo-1-phenyl-1H-imidazol-2-yl)vinyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 118111693
US10399985, Example 25
CID 118278077

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 165415321) is 6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(Cl)cc(Cl)c2nc(CCc3nccn3C)nn12.
What is the InChIKey of 6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is SFWBHUCUHOYZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5/c1-8-9(14)7-10(15)13-17-11(18-20(8)13)3-4-12-16-5-6-19(12)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 310.19 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165415321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).