4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine

C8H10Cl2N4O2S — CID 55124137

IUPAC4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine
SMILESCN(c1nc(Cl)nc(Cl)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H10Cl2N4O2S/c1-14(5-2-3-17(15,16)4-5)8-12-6(9)11-7(10)13-8/h5H,2-4H2,1H3
InChIKeyNQYMSDFPBMZNNR-UHFFFAOYSA-N
MW297.17 g/mol
LogP0.80
Rot. Bonds2

About 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine

4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 55124137) has the molecular formula C8H10Cl2N4O2S and a molecular weight of 297.17 g/mol. Its IUPAC name is 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine
PubChem CID55124137
Molecular FormulaC8H10Cl2N4O2S
Molecular Weight297.17 g/mol
Exact Mass295.99
IUPAC Name4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine
SMILESCN(c1nc(Cl)nc(Cl)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H10Cl2N4O2S/c1-14(5-2-3-17(15,16)4-5)8-12-6(9)11-7(10)13-8/h5H,2-4H2,1H3
InChIKeyNQYMSDFPBMZNNR-UHFFFAOYSA-N
XLogP0.80
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-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-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine (CID 55124137) is 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine is CN(c1nc(Cl)nc(Cl)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is NQYMSDFPBMZNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N4O2S/c1-14(5-2-3-17(15,16)4-5)8-12-6(9)11-7(10)13-8/h5H,2-4H2,1H3.
What are the key properties of 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine?
4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 297.17 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).