2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine

C14H15Cl2N5 — CID 60726999

IUPAC2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
SMILESClc1nc(Cl)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C14H15Cl2N5/c15-12-17-13(16)19-14(18-12)21-8-6-20(7-9-21)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyOAYNGCULCMRVME-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.50
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine

2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine (PubChem CID 60726999) has the molecular formula C14H15Cl2N5 and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
PubChem CID60726999
Molecular FormulaC14H15Cl2N5
Molecular Weight324.22 g/mol
Exact Mass323.07
IUPAC Name2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
SMILESClc1nc(Cl)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C14H15Cl2N5/c15-12-17-13(16)19-14(18-12)21-8-6-20(7-9-21)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyOAYNGCULCMRVME-UHFFFAOYSA-N
XLogP2.50
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine
CID 10619455
4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 71598389
2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine
CID 86161525
2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine
CID 62859583
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 130766041
4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 112746482
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine
CID 46838882
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine (CID 60726999) is 2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine is Clc1nc(Cl)nc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine?
The InChIKey is OAYNGCULCMRVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5/c15-12-17-13(16)19-14(18-12)21-8-6-20(7-9-21)10-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine?
2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine has a molecular weight of 324.22 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine is sourced from PubChem (CID 60726999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).