2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine

C15H16Cl3N5 — CID 118250258

IUPAC2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine
SMILESCN1CCN(c2nc(-c3ccccc3)nc(C(Cl)(Cl)Cl)n2)CC1
InChIInChI=1S/C15H16Cl3N5/c1-22-7-9-23(10-8-22)14-20-12(11-5-3-2-4-6-11)19-13(21-14)15(16,17)18/h2-6H,7-10H2,1H3
InChIKeyPJZRHVHQWGRGOG-UHFFFAOYSA-N
MW372.69 g/mol
LogP3.12
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine

2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine (PubChem CID 118250258) has the molecular formula C15H16Cl3N5 and a molecular weight of 372.69 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine
PubChem CID118250258
Molecular FormulaC15H16Cl3N5
Molecular Weight372.69 g/mol
Exact Mass371.05
IUPAC Name2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine
SMILESCN1CCN(c2nc(-c3ccccc3)nc(C(Cl)(Cl)Cl)n2)CC1
InChIInChI=1S/C15H16Cl3N5/c1-22-7-9-23(10-8-22)14-20-12(11-5-3-2-4-6-11)19-13(21-14)15(16,17)18/h2-6H,7-10H2,1H3
InChIKeyPJZRHVHQWGRGOG-UHFFFAOYSA-N
XLogP3.12
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.69
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3,4-dimethoxyphenyl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]-4-methyl-1,4-diazepane
CID 118250354
2-[4-[4-(trichloromethyl)-6-[4-(trichloromethyl)phenyl]-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol
CID 121312138
1-[4-(3-methoxyphenyl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]piperidin-4-amine
CID 118250581
1-[4-(4-methoxyphenyl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]-1,4-diazepane
CID 118250333
2-[4-[4-(3,4-dimethoxyphenyl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 85472663
[1-[4-(trichloromethyl)-6-[4-(trichloromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]carbamic acid
CID 134261255
4-phenyl-N-(2-pyrrolidin-1-ylethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 85472537
4-chloro-2-(4-methylpiperazin-1-yl)quinazoline
CID 14614944
4-(4-phenylphenyl)-N-(2-pyrrolidin-1-ylethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 118250229
3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 123635804
chloromethane;bis(2-[4-(2-phenylethenyl)phenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine)
CID 158786796
4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1350768

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine (CID 118250258) is 2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine is CN1CCN(c2nc(-c3ccccc3)nc(C(Cl)(Cl)Cl)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine?
The InChIKey is PJZRHVHQWGRGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl3N5/c1-22-7-9-23(10-8-22)14-20-12(11-5-3-2-4-6-11)19-13(21-14)15(16,17)18/h2-6H,7-10H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine?
2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine has a molecular weight of 372.69 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 118250258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).