[4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine

C9H14Cl3N7 — CID 110178431

IUPAC[4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine
SMILESCN1CCN(c2nc(NN)nc(C(Cl)(Cl)Cl)n2)CC1
InChIInChI=1S/C9H14Cl3N7/c1-18-2-4-19(5-3-18)8-15-6(9(10,11)12)14-7(16-8)17-13/h2-5,13H2,1H3,(H,14,15,16,17)
InChIKeyACJQCPCVVWUDED-UHFFFAOYSA-N
MW326.62 g/mol
LogP0.74
Rot. Bonds2

About [4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine

[4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 110178431) has the molecular formula C9H14Cl3N7 and a molecular weight of 326.62 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID110178431
Molecular FormulaC9H14Cl3N7
Molecular Weight326.62 g/mol
Exact Mass325.04
IUPAC Name[4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine
SMILESCN1CCN(c2nc(NN)nc(C(Cl)(Cl)Cl)n2)CC1
InChIInChI=1S/C9H14Cl3N7/c1-18-2-4-19(5-3-18)8-15-6(9(10,11)12)14-7(16-8)17-13/h2-5,13H2,1H3,(H,14,15,16,17)
InChIKeyACJQCPCVVWUDED-UHFFFAOYSA-N
XLogP0.74
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

s-Triazine, 2-hydrazino-4-(4-methylpiperazin-1-yl)-6-trifluoromethyl-
CID 3041959
2-Methyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazine
CID 20782152
[4-Piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine
CID 110178274
N-ethyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 110178300
4-hydrazinyl-N,N-dimethyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 34950
2-Hydrazinyl-4-methyl-6-(piperazin-1-yl)-1,3,5-triazine
CID 71399539
N,N-diethyl-4-[4-hydrazinyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide
CID 110185784

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine (CID 110178431) is [4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine is CN1CCN(c2nc(NN)nc(C(Cl)(Cl)Cl)n2)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is ACJQCPCVVWUDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl3N7/c1-18-2-4-19(5-3-18)8-15-6(9(10,11)12)14-7(16-8)17-13/h2-5,13H2,1H3,(H,14,15,16,17).
What are the key properties of [4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine?
[4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 326.62 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 110178431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).