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

C15H10Cl2FN5 — CID 112969089

IUPAC3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1cccc(Nc2cnnc(Nc3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C15H10Cl2FN5/c16-11-5-2-6-12(14(11)17)21-15-22-13(8-19-23-15)20-10-4-1-3-9(18)7-10/h1-8H,(H2,20,21,22,23)
InChIKeyLFPPOICIJGSIIM-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.80
Rot. Bonds4

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

3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112969089) has the molecular formula C15H10Cl2FN5 and a molecular weight of 350.18 g/mol. Its IUPAC name is 3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112969089
Molecular FormulaC15H10Cl2FN5
Molecular Weight350.18 g/mol
Exact Mass349.03
IUPAC Name3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1cccc(Nc2cnnc(Nc3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C15H10Cl2FN5/c16-11-5-2-6-12(14(11)17)21-15-22-13(8-19-23-15)20-10-4-1-3-9(18)7-10/h1-8H,(H2,20,21,22,23)
InChIKeyLFPPOICIJGSIIM-UHFFFAOYSA-N
XLogP4.80
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.80
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
3-N-(3-chlorophenyl)-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965982
5-N-(3-fluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969076
5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969609
3-N-(2,3-dichlorophenyl)-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964816
3-chloro-N-(3-fluorophenyl)-1,2,4-triazin-5-amine
CID 114999025
3-N-(3-chloro-2-methylphenyl)-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966249
3-N-(2-chloro-4,6-dimethylphenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966776
5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965455
1-[3-[[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112968374
4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931912
5-N-(4-chloro-2-methylphenyl)-3-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966410

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine (CID 112969089) is 3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine is Fc1cccc(Nc2cnnc(Nc3cccc(Cl)c3Cl)n2)c1.
What is the InChIKey of 3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is LFPPOICIJGSIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN5/c16-11-5-2-6-12(14(11)17)21-15-22-13(8-19-23-15)20-10-4-1-3-9(18)7-10/h1-8H,(H2,20,21,22,23).
What are the key properties of 3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine?
3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 350.18 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112969089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).