6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine

C15H10Cl3N5 — CID 17391

IUPAC6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESClc1ccc(Nc2nc(Cl)nc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C15H10Cl3N5/c16-9-1-5-11(6-2-9)19-14-21-13(18)22-15(23-14)20-12-7-3-10(17)4-8-12/h1-8H,(H2,19,20,21,22,23)
InChIKeyQFXLZCCVKGLOAA-UHFFFAOYSA-N
MW366.64 g/mol
LogP5.32
Rot. Bonds4

About 6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 17391) has the molecular formula C15H10Cl3N5 and a molecular weight of 366.64 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID17391
Molecular FormulaC15H10Cl3N5
Molecular Weight366.64 g/mol
Exact Mass365.00
IUPAC Name6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESClc1ccc(Nc2nc(Cl)nc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C15H10Cl3N5/c16-9-1-5-11(6-2-9)19-14-21-13(18)22-15(23-14)20-12-7-3-10(17)4-8-12/h1-8H,(H2,19,20,21,22,23)
InChIKeyQFXLZCCVKGLOAA-UHFFFAOYSA-N
XLogP5.32
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.64
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine (CID 17391) is 6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine is Clc1ccc(Nc2nc(Cl)nc(Nc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QFXLZCCVKGLOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N5/c16-9-1-5-11(6-2-9)19-14-21-13(18)22-15(23-14)20-12-7-3-10(17)4-8-12/h1-8H,(H2,19,20,21,22,23).
What are the key properties of 6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 366.64 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).