3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine

C15H9Cl2F2N5 — CID 112969569

IUPAC3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1cccc(F)c1Nc1cnnc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C15H9Cl2F2N5/c16-8-4-5-9(17)12(6-8)21-15-23-13(7-20-24-15)22-14-10(18)2-1-3-11(14)19/h1-7H,(H2,21,22,23,24)
InChIKeyNJMYBWZZPUXEEM-UHFFFAOYSA-N
MW368.17 g/mol
LogP4.94
Rot. Bonds4

About 3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine

3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112969569) has the molecular formula C15H9Cl2F2N5 and a molecular weight of 368.17 g/mol. Its IUPAC name is 3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112969569
Molecular FormulaC15H9Cl2F2N5
Molecular Weight368.17 g/mol
Exact Mass367.02
IUPAC Name3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1cccc(F)c1Nc1cnnc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C15H9Cl2F2N5/c16-8-4-5-9(17)12(6-8)21-15-23-13(7-20-24-15)22-14-10(18)2-1-3-11(14)19/h1-7H,(H2,21,22,23,24)
InChIKeyNJMYBWZZPUXEEM-UHFFFAOYSA-N
XLogP4.94
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965518
5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965905
5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969577
3-N-(5-chloro-2-methylphenyl)-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966363
5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969609
5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966307
5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965455
3-N-(2-bromo-4-methylphenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969198
5-N-(2,5-dichlorophenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963627
3-N-(2,4-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969085
5-N-(2,5-dichlorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112939069
methyl 3-[[3-(2,5-dichloroanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112968679

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine (CID 112969569) is 3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine is Fc1cccc(F)c1Nc1cnnc(Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is NJMYBWZZPUXEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F2N5/c16-8-4-5-9(17)12(6-8)21-15-23-13(7-20-24-15)22-14-10(18)2-1-3-11(14)19/h1-7H,(H2,21,22,23,24).
What are the key properties of 3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 368.17 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112969569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).