N-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine

C10H15Cl3N6 — CID 110178300

IUPACN-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(N2CCNCC2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C10H15Cl3N6/c1-2-15-8-16-7(10(11,12)13)17-9(18-8)19-5-3-14-4-6-19/h14H,2-6H2,1H3,(H,15,16,17,18)
InChIKeyYNYHZNHSHAMOOA-UHFFFAOYSA-N
MW325.63 g/mol
LogP1.54
Rot. Bonds3

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

N-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine (PubChem CID 110178300) has the molecular formula C10H15Cl3N6 and a molecular weight of 325.63 g/mol. Its IUPAC name is N-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine
PubChem CID110178300
Molecular FormulaC10H15Cl3N6
Molecular Weight325.63 g/mol
Exact Mass324.04
IUPAC NameN-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(N2CCNCC2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C10H15Cl3N6/c1-2-15-8-16-7(10(11,12)13)17-9(18-8)19-5-3-14-4-6-19/h14H,2-6H2,1H3,(H,15,16,17,18)
InChIKeyYNYHZNHSHAMOOA-UHFFFAOYSA-N
XLogP1.54
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.63
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazin-2-amine, N-propyl-4,6-bis(trichloromethyl)-
CID 32658
N-Propyl-4-methyl-6-(trichloromethyl)-s-triazine-2-amine
CID 32661
1,3,5-Triazin-2-amine, N-ethyl-4,6-bis(trichloromethyl)-
CID 32657
N-ethyl-4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 32660
2-N,4-N-diethyl-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
CID 33390
N-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 44301025
N-butyl-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine
CID 32612
N-butyl-4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 32686
N-(1-ethylpiperidin-3-yl)-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine
CID 44301024
N-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylmethanediamine
CID 134989198
N-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 32642
2-N-ethyl-4-N-methyl-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
CID 33833

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine (CID 110178300) is N-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine is CCNc1nc(N2CCNCC2)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of N-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The InChIKey is YNYHZNHSHAMOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl3N6/c1-2-15-8-16-7(10(11,12)13)17-9(18-8)19-5-3-14-4-6-19/h14H,2-6H2,1H3,(H,15,16,17,18).
What are the key properties of N-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine?
N-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine has a molecular weight of 325.63 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 110178300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).