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

C5H5Cl3N4 — CID 30529

IUPAC4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C5H5Cl3N4/c1-2-10-3(5(6,7)8)12-4(9)11-2/h1H3,(H2,9,10,11,12)
InChIKeyDTEHQKITILJADX-UHFFFAOYSA-N
MW227.48 g/mol
LogP1.59
Rot. Bonds

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

4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine (PubChem CID 30529) has the molecular formula C5H5Cl3N4 and a molecular weight of 227.48 g/mol. Its IUPAC name is 4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
PubChem CID30529
Molecular FormulaC5H5Cl3N4
Molecular Weight227.48 g/mol
Exact Mass225.96
IUPAC Name4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C5H5Cl3N4/c1-2-10-3(5(6,7)8)12-4(9)11-2/h1H3,(H2,9,10,11,12)
InChIKeyDTEHQKITILJADX-UHFFFAOYSA-N
XLogP1.59
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.48
LogP ≤ 51.59
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-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine (CID 30529) is 4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine is Cc1nc(N)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The InChIKey is DTEHQKITILJADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl3N4/c1-2-10-3(5(6,7)8)12-4(9)11-2/h1H3,(H2,9,10,11,12).
What are the key properties of 4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine?
4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine has a molecular weight of 227.48 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 30529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).