6,8-dichloro-5-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C13H13Cl2N5 — CID 165415328

IUPAC6,8-dichloro-5-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3ccn(C)n3)nn12
InChIInChI=1S/C13H13Cl2N5/c1-8-10(14)7-11(15)13-16-12(18-20(8)13)4-3-9-5-6-19(2)17-9/h5-7H,3-4H2,1-2H3
InChIKeyLWINSDAOIDXWEI-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.86
Rot. Bonds3

About 6,8-dichloro-5-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

6,8-dichloro-5-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165415328) 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-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6,8-dichloro-5-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165415328
Molecular FormulaC13H13Cl2N5
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name6,8-dichloro-5-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3ccn(C)n3)nn12
InChIInChI=1S/C13H13Cl2N5/c1-8-10(14)7-11(15)13-16-12(18-20(8)13)4-3-9-5-6-19(2)17-9/h5-7H,3-4H2,1-2H3
InChIKeyLWINSDAOIDXWEI-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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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-5-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6,8-dichloro-5-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 165415328) is 6,8-dichloro-5-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6,8-dichloro-5-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6,8-dichloro-5-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(Cl)cc(Cl)c2nc(CCc3ccn(C)n3)nn12.
What is the InChIKey of 6,8-dichloro-5-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LWINSDAOIDXWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5/c1-8-10(14)7-11(15)13-16-12(18-20(8)13)4-3-9-5-6-19(2)17-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 6,8-dichloro-5-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
6,8-dichloro-5-methyl-2-[2-(1-methylpyrazol-3-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-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165415328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).