4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine

C9H5Cl3N4 — CID 12852450

IUPAC4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C9H5Cl3N4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H2,13,14,15,16)
InChIKeyHGUHPEDYUHSPEZ-UHFFFAOYSA-N
MW275.53 g/mol
LogP3.08
Rot. Bonds1

About 4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine

4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine (PubChem CID 12852450) has the molecular formula C9H5Cl3N4 and a molecular weight of 275.53 g/mol. Its IUPAC name is 4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine
PubChem CID12852450
Molecular FormulaC9H5Cl3N4
Molecular Weight275.53 g/mol
Exact Mass273.96
IUPAC Name4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C9H5Cl3N4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H2,13,14,15,16)
InChIKeyHGUHPEDYUHSPEZ-UHFFFAOYSA-N
XLogP3.08
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine (CID 12852450) is 4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(-c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is HGUHPEDYUHSPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H2,13,14,15,16).
What are the key properties of 4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine?
4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 275.53 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 12852450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).