8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C17H16Cl2N6 — CID 172903860

About 8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine

8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 172903860) has the molecular formula C17H16Cl2N6 and a molecular weight of 375.26 g/mol. Its IUPAC name is 8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 172903860
• Molecular Formula: C17H16Cl2N6
• Molecular Weight: 375.26 g/mol
• Exact Mass: 374.08
• IUPAC Name: 8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: Clc1ccc(CN2CC3CC2CN3c2nccn3cnnc23)c(Cl)c1
• InChI: InChI=1S/C17H16Cl2N6/c18-12-2-1-11(15(19)5-12)7-24-8-14-6-13(24)9-25(14)16-17-22-21-10-23(17)4-3-20-16/h1-5,10,13-14H,6-9H2
• InChIKey: WVTZZDIMELPVQB-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 49.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.26
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of 8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 172903860) is 8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for 8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for 8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Clc1ccc(CN2CC3CC2CN3c2nccn3cnnc23)c(Cl)c1.

What is the InChIKey of 8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is WVTZZDIMELPVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N6/c18-12-2-1-11(15(19)5-12)7-24-8-14-6-13(24)9-25(14)16-17-22-21-10-23(17)4-3-20-16/h1-5,10,13-14H,6-9H2.

What are the key properties of 8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?

8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 375.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-[(2,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 172903860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).