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

C14H11Cl2N7 — CID 165415221

IUPAC2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nc4ncccn4n3)nn12
InChIInChI=1S/C14H11Cl2N7/c1-8-9(15)7-10(16)13-18-11(21-23(8)13)3-4-12-19-14-17-5-2-6-22(14)20-12/h2,5-7H,3-4H2,1H3
InChIKeyLCSRKQMRGDZVTD-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.57
Rot. Bonds3

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

2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 165415221) has the molecular formula C14H11Cl2N7 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID165415221
Molecular FormulaC14H11Cl2N7
Molecular Weight348.20 g/mol
Exact Mass347.05
IUPAC Name2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nc4ncccn4n3)nn12
InChIInChI=1S/C14H11Cl2N7/c1-8-9(15)7-10(16)13-18-11(21-23(8)13)3-4-12-19-14-17-5-2-6-22(14)20-12/h2,5-7H,3-4H2,1H3
InChIKeyLCSRKQMRGDZVTD-UHFFFAOYSA-N
XLogP2.57
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 165415221) is 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(Cl)cc(Cl)c2nc(CCc3nc4ncccn4n3)nn12.
What is the InChIKey of 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LCSRKQMRGDZVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N7/c1-8-9(15)7-10(16)13-18-11(21-23(8)13)3-4-12-19-14-17-5-2-6-22(14)20-12/h2,5-7H,3-4H2,1H3.
What are the key properties of 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 348.20 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 165415221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).