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

C15H11Cl2N5 — CID 112961614

IUPAC3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESClc1ccc(Nc2nncc(Nc3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C15H11Cl2N5/c16-10-6-7-13(12(17)8-10)20-15-21-14(9-18-22-15)19-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21,22)
InChIKeyMNKPQLJVTXCFGZ-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.67
Rot. Bonds4

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

3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine (PubChem CID 112961614) has the molecular formula C15H11Cl2N5 and a molecular weight of 332.19 g/mol. Its IUPAC name is 3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
PubChem CID112961614
Molecular FormulaC15H11Cl2N5
Molecular Weight332.19 g/mol
Exact Mass331.04
IUPAC Name3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESClc1ccc(Nc2nncc(Nc3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C15H11Cl2N5/c16-10-6-7-13(12(17)8-10)20-15-21-14(9-18-22-15)19-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21,22)
InChIKeyMNKPQLJVTXCFGZ-UHFFFAOYSA-N
XLogP4.67
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2,4-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969085
5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964133
3-N-(2,4-dichlorophenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967110
5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965905
3-N-(2,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938870
5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965455
3-N-(5-chloro-2-methylphenyl)-5-N-(4-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965997
3-N-[(4-chlorophenyl)methyl]-5-N-(2,4-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112950719
5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965518
3-N-(3-chloro-4-fluorophenyl)-5-N-(3-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965852
4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926979
5-N-(3,4-dichlorophenyl)-3-N-(2,3,4-trifluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969528

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine (CID 112961614) is 3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine is Clc1ccc(Nc2nncc(Nc3ccccc3)n2)c(Cl)c1.
What is the InChIKey of 3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The InChIKey is MNKPQLJVTXCFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5/c16-10-6-7-13(12(17)8-10)20-15-21-14(9-18-22-15)19-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21,22).
What are the key properties of 3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine?
3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine has a molecular weight of 332.19 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112961614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).