7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C23H19Cl2N5 — CID 168958173

About 7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 168958173) has the molecular formula C23H19Cl2N5 and a molecular weight of 436.35 g/mol. Its IUPAC name is 7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 168958173
• Molecular Formula: C23H19Cl2N5
• Molecular Weight: 436.35 g/mol
• Exact Mass: 435.10
• IUPAC Name: 7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: Clc1ccc(C(c2ccc(Cl)cc2)N2CCn3c(nnc3-c3cccnc3)C2)cc1
• InChI: InChI=1S/C23H19Cl2N5/c24-19-7-3-16(4-8-19)22(17-5-9-20(25)10-6-17)29-12-13-30-21(15-29)27-28-23(30)18-2-1-11-26-14-18/h1-11,14,22H,12-13,15H2
• InChIKey: IUODWVUMVHFFRX-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.35
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of 7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 168958173) is 7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for 7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for 7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Clc1ccc(C(c2ccc(Cl)cc2)N2CCn3c(nnc3-c3cccnc3)C2)cc1.

What is the InChIKey of 7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is IUODWVUMVHFFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5/c24-19-7-3-16(4-8-19)22(17-5-9-20(25)10-6-17)29-12-13-30-21(15-29)27-28-23(30)18-2-1-11-26-14-18/h1-11,14,22H,12-13,15H2.

What are the key properties of 7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?

7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 436.35 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 168958173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).