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

C17H15F2N5 — CID 112964315

IUPAC5-N-(2,6-difluorophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1ccc(Nc2nncc(Nc3c(F)cccc3F)n2)cc1
InChIInChI=1S/C17H15F2N5/c1-2-11-6-8-12(9-7-11)21-17-23-15(10-20-24-17)22-16-13(18)4-3-5-14(16)19/h3-10H,2H2,1H3,(H2,21,22,23,24)
InChIKeyIQQQONPCMZYOBX-UHFFFAOYSA-N
MW327.34 g/mol
LogP4.20
Rot. Bonds5

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

5-N-(2,6-difluorophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112964315) has the molecular formula C17H15F2N5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-N-(2,6-difluorophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,6-difluorophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112964315
Molecular FormulaC17H15F2N5
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name5-N-(2,6-difluorophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1ccc(Nc2nncc(Nc3c(F)cccc3F)n2)cc1
InChIInChI=1S/C17H15F2N5/c1-2-11-6-8-12(9-7-11)21-17-23-15(10-20-24-17)22-16-13(18)4-3-5-14(16)19/h3-10H,2H2,1H3,(H2,21,22,23,24)
InChIKeyIQQQONPCMZYOBX-UHFFFAOYSA-N
XLogP4.20
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(2,6-difluorophenyl)-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962355
3-N-(4-chlorophenyl)-5-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964162
5-N-[4-(diethylamino)phenyl]-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112968893
5-N-(4-bromophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964254
3-N-(4-ethylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112964268
3-N-(3-bromo-4-methylphenyl)-5-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112967056
3-N-(2-ethyl-6-methylphenyl)-5-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964152
5-N-(4-ethylphenyl)-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112964173
5-N-(3,5-dimethylphenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963476
3-N-(4-ethylphenyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964237
5-N-(2-tert-butylphenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964240
5-N-(4-bromo-3-methylphenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964291

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,6-difluorophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2,6-difluorophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine (CID 112964315) is 5-N-(2,6-difluorophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2,6-difluorophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2,6-difluorophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine is CCc1ccc(Nc2nncc(Nc3c(F)cccc3F)n2)cc1.
What is the InChIKey of 5-N-(2,6-difluorophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is IQQQONPCMZYOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5/c1-2-11-6-8-12(9-7-11)21-17-23-15(10-20-24-17)22-16-13(18)4-3-5-14(16)19/h3-10H,2H2,1H3,(H2,21,22,23,24).
What are the key properties of 5-N-(2,6-difluorophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-(2,6-difluorophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 327.34 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,6-difluorophenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112964315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).