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

C8H12Cl3N7 — CID 110178274

IUPAC[4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(N2CCNCC2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C8H12Cl3N7/c9-8(10,11)5-14-6(17-12)16-7(15-5)18-3-1-13-2-4-18/h13H,1-4,12H2,(H,14,15,16,17)
InChIKeyQJJRAXGUMIOSFP-UHFFFAOYSA-N
MW312.59 g/mol
LogP0.39
Rot. Bonds2

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

[4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 110178274) has the molecular formula C8H12Cl3N7 and a molecular weight of 312.59 g/mol. Its IUPAC name is [4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID110178274
Molecular FormulaC8H12Cl3N7
Molecular Weight312.59 g/mol
Exact Mass311.02
IUPAC Name[4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(N2CCNCC2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C8H12Cl3N7/c9-8(10,11)5-14-6(17-12)16-7(15-5)18-3-1-13-2-4-18/h13H,1-4,12H2,(H,14,15,16,17)
InChIKeyQJJRAXGUMIOSFP-UHFFFAOYSA-N
XLogP0.39
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 50.39
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of [4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine (CID 110178274) is [4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine is NNc1nc(N2CCNCC2)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of [4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is QJJRAXGUMIOSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl3N7/c9-8(10,11)5-14-6(17-12)16-7(15-5)18-3-1-13-2-4-18/h13H,1-4,12H2,(H,14,15,16,17).
What are the key properties of [4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine?
[4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 312.59 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 110178274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).