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

C9H5Cl3N4 — CID 7541

IUPAC4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccccc2Cl)n1
InChIInChI=1S/C9H5Cl3N4/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)
InChIKeyIMHBYKMAHXWHRP-UHFFFAOYSA-N
MW275.53 g/mol
LogP3.58
Rot. Bonds2

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

4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine (PubChem CID 7541) has the molecular formula C9H5Cl3N4 and a molecular weight of 275.53 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
PubChem CID7541
Molecular FormulaC9H5Cl3N4
Molecular Weight275.53 g/mol
Exact Mass273.96
IUPAC Name4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccccc2Cl)n1
InChIInChI=1S/C9H5Cl3N4/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)
InChIKeyIMHBYKMAHXWHRP-UHFFFAOYSA-N
XLogP3.58
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 53.58
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?
The IUPAC name of 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine (CID 7541) is 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(Nc2ccccc2Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is IMHBYKMAHXWHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N4/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).
What are the key properties of 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 275.53 g/mol, XLogP of 3.58, 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 is sourced from PubChem (CID 7541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).