N-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine

C24H29ClN8 — CID 11712402

IUPACN-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESClc1ccc(N2CCN(c3nc(NCc4ccccc4)nc(N4CCNCC4)n3)CC2)cc1
InChIInChI=1S/C24H29ClN8/c25-20-6-8-21(9-7-20)31-14-16-33(17-15-31)24-29-22(27-18-19-4-2-1-3-5-19)28-23(30-24)32-12-10-26-11-13-32/h1-9,26H,10-18H2,(H,27,28,29,30)
InChIKeyHPDLASIXYTZYGG-UHFFFAOYSA-N
MW465.01 g/mol
LogP2.87
Rot. Bonds6

About N-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine

N-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine (PubChem CID 11712402) has the molecular formula C24H29ClN8 and a molecular weight of 465.01 g/mol. Its IUPAC name is N-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine
PubChem CID11712402
Molecular FormulaC24H29ClN8
Molecular Weight465.01 g/mol
Exact Mass464.22
IUPAC NameN-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESClc1ccc(N2CCN(c3nc(NCc4ccccc4)nc(N4CCNCC4)n3)CC2)cc1
InChIInChI=1S/C24H29ClN8/c25-20-6-8-21(9-7-20)31-14-16-33(17-15-31)24-29-22(27-18-19-4-2-1-3-5-19)28-23(30-24)32-12-10-26-11-13-32/h1-9,26H,10-18H2,(H,27,28,29,30)
InChIKeyHPDLASIXYTZYGG-UHFFFAOYSA-N
XLogP2.87
TPSA72.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.01
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine (CID 11712402) is N-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine is Clc1ccc(N2CCN(c3nc(NCc4ccccc4)nc(N4CCNCC4)n3)CC2)cc1.
What is the InChIKey of N-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is HPDLASIXYTZYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN8/c25-20-6-8-21(9-7-20)31-14-16-33(17-15-31)24-29-22(27-18-19-4-2-1-3-5-19)28-23(30-24)32-12-10-26-11-13-32/h1-9,26H,10-18H2,(H,27,28,29,30).
What are the key properties of N-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine?
N-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 465.01 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 11712402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).