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

C15H9Cl2F2N5 — CID 112969577

IUPAC5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1cccc(F)c1Nc1nncc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C15H9Cl2F2N5/c16-8-4-9(17)6-10(5-8)21-13-7-20-24-15(22-13)23-14-11(18)2-1-3-12(14)19/h1-7H,(H2,21,22,23,24)
InChIKeyLHFVRTJDEKTWQE-UHFFFAOYSA-N
MW368.17 g/mol
LogP4.94
Rot. Bonds4

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

5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112969577) has the molecular formula C15H9Cl2F2N5 and a molecular weight of 368.17 g/mol. Its IUPAC name is 5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112969577
Molecular FormulaC15H9Cl2F2N5
Molecular Weight368.17 g/mol
Exact Mass367.02
IUPAC Name5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1cccc(F)c1Nc1nncc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C15H9Cl2F2N5/c16-8-4-9(17)6-10(5-8)21-13-7-20-24-15(22-13)23-14-11(18)2-1-3-12(14)19/h1-7H,(H2,21,22,23,24)
InChIKeyLHFVRTJDEKTWQE-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

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

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Related Compounds

5-N-(3,5-dichlorophenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963797
3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969569
5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965455
5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969609
3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965993
3-[[3-(2,6-difluoroanilino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112969699
4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932223
3-N-(3-chloro-4-fluorophenyl)-5-N-(3-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965852
5-N-(3-bromo-4-methylphenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112967040
5-N-(2,6-difluorophenyl)-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962355
5-N-[4-(diethylamino)phenyl]-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112968893
5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112939280

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine (CID 112969577) is 5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine is Fc1cccc(F)c1Nc1nncc(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is LHFVRTJDEKTWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F2N5/c16-8-4-9(17)6-10(5-8)21-13-7-20-24-15(22-13)23-14-11(18)2-1-3-12(14)19/h1-7H,(H2,21,22,23,24).
What are the key properties of 5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
5-N-(3,5-dichlorophenyl)-3-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 5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112969577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).