2,6-dichloro-4-(2-chlorophenyl)-1H-triazine

C9H6Cl3N3 — CID 162681210

IUPAC2,6-dichloro-4-(2-chlorophenyl)-1H-triazine
SMILESClC1=CC(c2ccccc2Cl)=NN(Cl)N1
InChIInChI=1S/C9H6Cl3N3/c10-7-4-2-1-3-6(7)8-5-9(11)14-15(12)13-8/h1-5,14H
InChIKeyVSVTZPOFSFKHFD-UHFFFAOYSA-N
MW262.53 g/mol
LogP3.10
Rot. Bonds1

About 2,6-dichloro-4-(2-chlorophenyl)-1H-triazine

2,6-dichloro-4-(2-chlorophenyl)-1H-triazine (PubChem CID 162681210) has the molecular formula C9H6Cl3N3 and a molecular weight of 262.53 g/mol. Its IUPAC name is 2,6-dichloro-4-(2-chlorophenyl)-1H-triazine.

Molecular Properties

Compound Name2,6-dichloro-4-(2-chlorophenyl)-1H-triazine
PubChem CID162681210
Molecular FormulaC9H6Cl3N3
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name2,6-dichloro-4-(2-chlorophenyl)-1H-triazine
SMILESClC1=CC(c2ccccc2Cl)=NN(Cl)N1
InChIInChI=1S/C9H6Cl3N3/c10-7-4-2-1-3-6(7)8-5-9(11)14-15(12)13-8/h1-5,14H
InChIKeyVSVTZPOFSFKHFD-UHFFFAOYSA-N
XLogP3.10
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-(2-chlorophenyl)-1H-triazine with MolForge

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

Launch Full Analysis

Related Compounds

3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride
CID 174661750
6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine
CID 70608161
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-[3,6-bis(2-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanol
CID 12912720
6-(2-chlorophenyl)-8-phenyl-2,3-dihydroimidazo[1,2-b]pyridazine;hydrochloride
CID 24839110
azane;1,2-dichlorobenzene
CID 70584322
5-(2-chlorophenyl)-3-methyl-2H-1,3,4-thiadiazole
CID 141152066
5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one
CID 53438199
4-chloro-5-(2-chlorophenyl)-1H-pyrazole
CID 22916491
4-bromo-3-chloro-6-(2-chlorophenyl)pyridazine
CID 117107066
1,2-dichlorobenzene;hydrate;hydrochloride
CID 141479272
5-(2-chlorophenyl)pyrimidin-2-amine
CID 66520129

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(2-chlorophenyl)-1H-triazine?
The IUPAC name of 2,6-dichloro-4-(2-chlorophenyl)-1H-triazine (CID 162681210) is 2,6-dichloro-4-(2-chlorophenyl)-1H-triazine.
What is the SMILES notation for 2,6-dichloro-4-(2-chlorophenyl)-1H-triazine?
The canonical SMILES for 2,6-dichloro-4-(2-chlorophenyl)-1H-triazine is ClC1=CC(c2ccccc2Cl)=NN(Cl)N1.
What is the InChIKey of 2,6-dichloro-4-(2-chlorophenyl)-1H-triazine?
The InChIKey is VSVTZPOFSFKHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl3N3/c10-7-4-2-1-3-6(7)8-5-9(11)14-15(12)13-8/h1-5,14H.
What are the key properties of 2,6-dichloro-4-(2-chlorophenyl)-1H-triazine?
2,6-dichloro-4-(2-chlorophenyl)-1H-triazine has a molecular weight of 262.53 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(2-chlorophenyl)-1H-triazine is sourced from PubChem (CID 162681210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).