6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine

C11H9Cl2N5 — CID 6282258

IUPAC6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(/C=C/c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl2N5/c12-7-3-1-6(8(13)5-7)2-4-9-16-10(14)18-11(15)17-9/h1-5H,(H4,14,15,16,17,18)/b4-2+
InChIKeyYZKNJVYFCLEKCJ-DUXPYHPUSA-N
MW282.13 g/mol
LogP2.51
Rot. Bonds2

About 6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine

6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 6282258) has the molecular formula C11H9Cl2N5 and a molecular weight of 282.13 g/mol. Its IUPAC name is 6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine
PubChem CID6282258
Molecular FormulaC11H9Cl2N5
Molecular Weight282.13 g/mol
Exact Mass281.02
IUPAC Name6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(/C=C/c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl2N5/c12-7-3-1-6(8(13)5-7)2-4-9-16-10(14)18-11(15)17-9/h1-5H,(H4,14,15,16,17,18)/b4-2+
InChIKeyYZKNJVYFCLEKCJ-DUXPYHPUSA-N
XLogP2.51
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine (CID 6282258) is 6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(/C=C/c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YZKNJVYFCLEKCJ-DUXPYHPUSA-N. The full InChI is InChI=1S/C11H9Cl2N5/c12-7-3-1-6(8(13)5-7)2-4-9-16-10(14)18-11(15)17-9/h1-5H,(H4,14,15,16,17,18)/b4-2+.
What are the key properties of 6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine?
6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 282.13 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6282258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).