1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine

C15H13Cl2N5 — CID 10404620

IUPAC1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine
SMILESNC1=NC(c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C(N)=N1
InChIInChI=1S/C15H13Cl2N5/c16-11-7-6-10(8-12(11)17)22-13(9-4-2-1-3-5-9)20-14(18)21-15(22)19/h1-8,13H,(H4,18,19,20,21)
InChIKeyPOHPGOJAYHKLEL-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.14
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine

1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine (PubChem CID 10404620) has the molecular formula C15H13Cl2N5 and a molecular weight of 334.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine
PubChem CID10404620
Molecular FormulaC15H13Cl2N5
Molecular Weight334.21 g/mol
Exact Mass333.05
IUPAC Name1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine
SMILESNC1=NC(c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C(N)=N1
InChIInChI=1S/C15H13Cl2N5/c16-11-7-6-10(8-12(11)17)22-13(9-4-2-1-3-5-9)20-14(18)21-15(22)19/h1-8,13H,(H4,18,19,20,21)
InChIKeyPOHPGOJAYHKLEL-UHFFFAOYSA-N
XLogP3.14
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine (CID 10404620) is 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine is NC1=NC(c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C(N)=N1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is POHPGOJAYHKLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5/c16-11-7-6-10(8-12(11)17)22-13(9-4-2-1-3-5-9)20-14(18)21-15(22)19/h1-8,13H,(H4,18,19,20,21).
What are the key properties of 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine?
1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 334.21 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 10404620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).