4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine

C5H2Cl6N4 — CID 30126

IUPAC4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C5H2Cl6N4/c6-4(7,8)1-13-2(5(9,10)11)15-3(12)14-1/h(H2,12,13,14,15)
InChIKeyUQXORGNDTFKCJM-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.11
Rot. Bonds

About 4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine

4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine (PubChem CID 30126) has the molecular formula C5H2Cl6N4 and a molecular weight of 330.82 g/mol. Its IUPAC name is 4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine
PubChem CID30126
Molecular FormulaC5H2Cl6N4
Molecular Weight330.82 g/mol
Exact Mass327.84
IUPAC Name4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C5H2Cl6N4/c6-4(7,8)1-13-2(5(9,10)11)15-3(12)14-1/h(H2,12,13,14,15)
InChIKeyUQXORGNDTFKCJM-UHFFFAOYSA-N
XLogP3.11
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine (CID 30126) is 4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine is Nc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine?
The InChIKey is UQXORGNDTFKCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl6N4/c6-4(7,8)1-13-2(5(9,10)11)15-3(12)14-1/h(H2,12,13,14,15).
What are the key properties of 4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine?
4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine has a molecular weight of 330.82 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 30126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).