4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine

C4H10Cl2N4 — CID 89320942

IUPAC4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine
SMILESCNC1NC(Cl)NC(Cl)N1
InChIInChI=1S/C4H10Cl2N4/c1-7-4-9-2(5)8-3(6)10-4/h2-4,7-10H,1H3
InChIKeyQVJZHCZHZVFMCA-UHFFFAOYSA-N
MW185.06 g/mol
LogP-0.68
Rot. Bonds1

About 4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine

4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine (PubChem CID 89320942) has the molecular formula C4H10Cl2N4 and a molecular weight of 185.06 g/mol. Its IUPAC name is 4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine
PubChem CID89320942
Molecular FormulaC4H10Cl2N4
Molecular Weight185.06 g/mol
Exact Mass184.03
IUPAC Name4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine
SMILESCNC1NC(Cl)NC(Cl)N1
InChIInChI=1S/C4H10Cl2N4/c1-7-4-9-2(5)8-3(6)10-4/h2-4,7-10H,1H3
InChIKeyQVJZHCZHZVFMCA-UHFFFAOYSA-N
XLogP-0.68
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine?
The IUPAC name of 4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine (CID 89320942) is 4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine.
What is the SMILES notation for 4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine?
The canonical SMILES for 4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine is CNC1NC(Cl)NC(Cl)N1.
What is the InChIKey of 4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine?
The InChIKey is QVJZHCZHZVFMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10Cl2N4/c1-7-4-9-2(5)8-3(6)10-4/h2-4,7-10H,1H3.
What are the key properties of 4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine?
4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine has a molecular weight of 185.06 g/mol, XLogP of -0.68, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-methyl-1,3,5-triazinan-2-amine is sourced from PubChem (CID 89320942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).