4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine

C17H19Cl4N5 — CID 118250537

IUPAC4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
SMILESCCN1CCCC(Nc2nc(-c3cccc(Cl)c3)nc(C(Cl)(Cl)Cl)n2)C1
InChIInChI=1S/C17H19Cl4N5/c1-2-26-8-4-7-13(10-26)22-16-24-14(11-5-3-6-12(18)9-11)23-15(25-16)17(19,20)21/h3,5-6,9,13H,2,4,7-8,10H2,1H3,(H,22,23,24,25)
InChIKeyKEZGTUGIUHFKDC-UHFFFAOYSA-N
MW435.19 g/mol
LogP4.91
Rot. Bonds4

About 4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine

4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine (PubChem CID 118250537) has the molecular formula C17H19Cl4N5 and a molecular weight of 435.19 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
PubChem CID118250537
Molecular FormulaC17H19Cl4N5
Molecular Weight435.19 g/mol
Exact Mass433.04
IUPAC Name4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
SMILESCCN1CCCC(Nc2nc(-c3cccc(Cl)c3)nc(C(Cl)(Cl)Cl)n2)C1
InChIInChI=1S/C17H19Cl4N5/c1-2-26-8-4-7-13(10-26)22-16-24-14(11-5-3-6-12(18)9-11)23-15(25-16)17(19,20)21/h3,5-6,9,13H,2,4,7-8,10H2,1H3,(H,22,23,24,25)
InChIKeyKEZGTUGIUHFKDC-UHFFFAOYSA-N
XLogP4.91
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.19
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butylphenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 118250336
N-(1-ethylpiperidin-3-yl)-4-(4-pyrrolidin-1-ylphenyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 85472413
4-(3-chlorophenyl)-N-(1-methylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 118250695
4-(3-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 85472415
6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80801238
N-[4-(3-chlorophenyl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 118250312
5-chloro-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 61170004
4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564466
2-chloro-6-[(1-ethylpiperidin-3-yl)amino]benzenecarbothioamide
CID 62496167
N-(2-pyrrolidin-1-ylethyl)-4-(trichloromethyl)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 118250345
4-phenyl-N-(2-pyrrolidin-1-ylethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 85472537
3,5-dichloro-2-N-ethyl-6-N-(1-ethylpiperidin-3-yl)pyridine-2,6-diamine
CID 102756946

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine (CID 118250537) is 4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine is CCN1CCCC(Nc2nc(-c3cccc(Cl)c3)nc(C(Cl)(Cl)Cl)n2)C1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The InChIKey is KEZGTUGIUHFKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl4N5/c1-2-26-8-4-7-13(10-26)22-16-24-14(11-5-3-6-12(18)9-11)23-15(25-16)17(19,20)21/h3,5-6,9,13H,2,4,7-8,10H2,1H3,(H,22,23,24,25).
What are the key properties of 4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine?
4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine has a molecular weight of 435.19 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(1-ethylpiperidin-3-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 118250537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).