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2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine

C23H26ClN7 — CID 11561156

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine
SMILESClc1ccc(N2CCN(c3nc(-c4ccccc4)nc(N4CCNCC4)n3)CC2)cc1
InChIInChI=1S/C23H26ClN7/c24-19-6-8-20(9-7-19)29-14-16-31(17-15-29)23-27-21(18-4-2-1-3-5-18)26-22(28-23)30-12-10-25-11-13-30/h1-9,25H,10-17H2
InChIKeyYRDQFPRQQBZAHN-UHFFFAOYSA-N
MW435.96 g/mol
LogP2.93
Rot. Bonds4

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine

2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine (PubChem CID 11561156) has the molecular formula C23H26ClN7 and a molecular weight of 435.96 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine
PubChem CID11561156
Molecular FormulaC23H26ClN7
Molecular Weight435.96 g/mol
Exact Mass435.19
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine
SMILESClc1ccc(N2CCN(c3nc(-c4ccccc4)nc(N4CCNCC4)n3)CC2)cc1
InChIInChI=1S/C23H26ClN7/c24-19-6-8-20(9-7-19)29-14-16-31(17-15-29)23-27-21(18-4-2-1-3-5-18)26-22(28-23)30-12-10-25-11-13-30/h1-9,25H,10-17H2
InChIKeyYRDQFPRQQBZAHN-UHFFFAOYSA-N
XLogP2.93
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine (CID 11561156) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine is Clc1ccc(N2CCN(c3nc(-c4ccccc4)nc(N4CCNCC4)n3)CC2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine?
The InChIKey is YRDQFPRQQBZAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7/c24-19-6-8-20(9-7-19)29-14-16-31(17-15-29)23-27-21(18-4-2-1-3-5-18)26-22(28-23)30-12-10-25-11-13-30/h1-9,25H,10-17H2.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine?
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine has a molecular weight of 435.96 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine is sourced from PubChem (CID 11561156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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