4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate

C9H11Cl3N4O3 — CID 173416428

IUPAC4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate
SMILESClc1nc(Cl)nc(Nc2ccccc2Cl)n1.O.O.O
InChIInChI=1S/C9H5Cl3N4.3H2O/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9;;;/h1-4H,(H,13,14,15,16);3*1H2
InChIKeyGJAUYLBNBKUSIZ-UHFFFAOYSA-N
MW329.57 g/mol
LogP1.10
Rot. Bonds2

About 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate

4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate (PubChem CID 173416428) has the molecular formula C9H11Cl3N4O3 and a molecular weight of 329.57 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate.

Molecular Properties

Compound Name4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate
PubChem CID173416428
Molecular FormulaC9H11Cl3N4O3
Molecular Weight329.57 g/mol
Exact Mass327.99
IUPAC Name4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate
SMILESClc1nc(Cl)nc(Nc2ccccc2Cl)n1.O.O.O
InChIInChI=1S/C9H5Cl3N4.3H2O/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9;;;/h1-4H,(H,13,14,15,16);3*1H2
InChIKeyGJAUYLBNBKUSIZ-UHFFFAOYSA-N
XLogP1.10
TPSA145.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate?
The IUPAC name of 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate (CID 173416428) is 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate.
What is the SMILES notation for 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate?
The canonical SMILES for 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate is Clc1nc(Cl)nc(Nc2ccccc2Cl)n1.O.O.O.
What is the InChIKey of 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate?
The InChIKey is GJAUYLBNBKUSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N4.3H2O/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9;;;/h1-4H,(H,13,14,15,16);3*1H2.
What are the key properties of 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate?
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate has a molecular weight of 329.57 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate is sourced from PubChem (CID 173416428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).