3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine

C19H13F3N6 — CID 112968165

IUPAC3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
SMILESFC(F)(F)c1ccccc1Nc1cnnc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C19H13F3N6/c20-19(21,22)13-7-1-2-8-14(13)25-16-11-24-28-18(27-16)26-15-9-3-5-12-6-4-10-23-17(12)15/h1-11H,(H2,25,26,27,28)
InChIKeySYGWGRUOBMEPJP-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.93
Rot. Bonds4

About 3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine

3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine (PubChem CID 112968165) has the molecular formula C19H13F3N6 and a molecular weight of 382.35 g/mol. Its IUPAC name is 3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
PubChem CID112968165
Molecular FormulaC19H13F3N6
Molecular Weight382.35 g/mol
Exact Mass382.12
IUPAC Name3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
SMILESFC(F)(F)c1ccccc1Nc1cnnc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C19H13F3N6/c20-19(21,22)13-7-1-2-8-14(13)25-16-11-24-28-18(27-16)26-15-9-3-5-12-6-4-10-23-17(12)15/h1-11H,(H2,25,26,27,28)
InChIKeySYGWGRUOBMEPJP-UHFFFAOYSA-N
XLogP4.93
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(2-fluorophenyl)-3-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112965397
6-methyl-2-N-quinolin-8-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931278
3-N-(2-propan-2-ylphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112964734
5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969366
5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969359
4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866573
3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112967833
3-N-(2,6-dimethylphenyl)-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112963763
5-N-(2,6-dimethylphenyl)-3-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112963679
5-N-(3-fluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969076
3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969109
2-[[3-[2-(trifluoromethyl)anilino]-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112968192

Frequently Asked Questions

What is the IUPAC name of 3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine (CID 112968165) is 3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine is FC(F)(F)c1ccccc1Nc1cnnc(Nc2cccc3cccnc23)n1.
What is the InChIKey of 3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is SYGWGRUOBMEPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6/c20-19(21,22)13-7-1-2-8-14(13)25-16-11-24-28-18(27-16)26-15-9-3-5-12-6-4-10-23-17(12)15/h1-11H,(H2,25,26,27,28).
What are the key properties of 3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine?
3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 382.35 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112968165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).