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

C15H9Cl2F2N5 — CID 112969609

IUPAC5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1cccc(F)c1Nc1nncc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C15H9Cl2F2N5/c16-8-3-1-6-11(13(8)17)21-12-7-20-24-15(22-12)23-14-9(18)4-2-5-10(14)19/h1-7H,(H2,21,22,23,24)
InChIKeyHGYHIKMZICXZKA-UHFFFAOYSA-N
MW368.17 g/mol
LogP4.94
Rot. Bonds4

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

5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112969609) has the molecular formula C15H9Cl2F2N5 and a molecular weight of 368.17 g/mol. Its IUPAC name is 5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112969609
Molecular FormulaC15H9Cl2F2N5
Molecular Weight368.17 g/mol
Exact Mass367.02
IUPAC Name5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1cccc(F)c1Nc1nncc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C15H9Cl2F2N5/c16-8-3-1-6-11(13(8)17)21-12-7-20-24-15(22-12)23-14-9(18)4-2-5-10(14)19/h1-7H,(H2,21,22,23,24)
InChIKeyHGYHIKMZICXZKA-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

3-N-(3-chloro-2-methylphenyl)-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966249
3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969089
5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969577
3-N-(2,5-dichlorophenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969569
3-N-(3-chlorophenyl)-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965982
5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969366
5-N-(2,3-dichlorophenyl)-3-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964887
3-N-cycloheptyl-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959354
3-N-(2,3-dichlorophenyl)-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964816
5-N-(2,3-dichlorophenyl)-3-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967553
5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965518
5-N-(2,3-dichlorophenyl)-3-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112960009

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine (CID 112969609) is 5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine is Fc1cccc(F)c1Nc1nncc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is HGYHIKMZICXZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F2N5/c16-8-3-1-6-11(13(8)17)21-12-7-20-24-15(22-12)23-14-9(18)4-2-5-10(14)19/h1-7H,(H2,21,22,23,24).
What are the key properties of 5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine?
5-N-(2,3-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-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112969609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).