6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine

C15H12Cl2N6 — CID 165415218

IUPAC6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3cn4cccnc4n3)nn12
InChIInChI=1S/C15H12Cl2N6/c1-9-11(16)7-12(17)14-20-13(21-23(9)14)4-3-10-8-22-6-2-5-18-15(22)19-10/h2,5-8H,3-4H2,1H3
InChIKeyWHDOWEOTDFQONA-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.17
Rot. Bonds3

About 6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine

6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165415218) has the molecular formula C15H12Cl2N6 and a molecular weight of 347.21 g/mol. Its IUPAC name is 6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165415218
Molecular FormulaC15H12Cl2N6
Molecular Weight347.21 g/mol
Exact Mass346.05
IUPAC Name6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3cn4cccnc4n3)nn12
InChIInChI=1S/C15H12Cl2N6/c1-9-11(16)7-12(17)14-20-13(21-23(9)14)4-3-10-8-22-6-2-5-18-15(22)19-10/h2,5-8H,3-4H2,1H3
InChIKeyWHDOWEOTDFQONA-UHFFFAOYSA-N
XLogP3.17
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 165415218) is 6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(Cl)cc(Cl)c2nc(CCc3cn4cccnc4n3)nn12.
What is the InChIKey of 6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WHDOWEOTDFQONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N6/c1-9-11(16)7-12(17)14-20-13(21-23(9)14)4-3-10-8-22-6-2-5-18-15(22)19-10/h2,5-8H,3-4H2,1H3.
What are the key properties of 6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 347.21 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165415218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).