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

C16H19Cl2N7 — CID 72705281

IUPAC6,8-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
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C16H19Cl2N7/c1-10-11(17)9-12(18)15-19-13(21-25(10)15)5-6-14-20-16(22-23(14)2)24-7-3-4-8-24/h9H,3-8H2,1-2H3
InChIKeyKKAGVWDOTJPUKI-UHFFFAOYSA-N
MW380.28 g/mol
LogP2.86
Rot. Bonds4

About 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

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 (PubChem CID 72705281) has the molecular formula C16H19Cl2N7 and a molecular weight of 380.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,8-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
PubChem CID72705281
Molecular FormulaC16H19Cl2N7
Molecular Weight380.28 g/mol
Exact Mass379.11
IUPAC Name6,8-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
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C16H19Cl2N7/c1-10-11(17)9-12(18)15-19-13(21-25(10)15)5-6-14-20-16(22-23(14)2)24-7-3-4-8-24/h9H,3-8H2,1-2H3
InChIKeyKKAGVWDOTJPUKI-UHFFFAOYSA-N
XLogP2.86
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(Cl)cc(Cl)c2nc(CCc3nc(N4CCCC4)nn3C)nn12.
What is the InChIKey of 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?
The InChIKey is KKAGVWDOTJPUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N7/c1-10-11(17)9-12(18)15-19-13(21-25(10)15)5-6-14-20-16(22-23(14)2)24-7-3-4-8-24/h9H,3-8H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 380.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 72705281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).