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

C15H9F4N5 — CID 112969398

IUPAC3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccc(Nc2cnnc(Nc3ccc(F)cc3F)n2)c(F)c1
InChIInChI=1S/C15H9F4N5/c16-8-1-3-12(10(18)5-8)21-14-7-20-24-15(23-14)22-13-4-2-9(17)6-11(13)19/h1-7H,(H2,21,22,23,24)
InChIKeyQDMZQVRYTQHFTD-UHFFFAOYSA-N
MW335.26 g/mol
LogP3.92
Rot. Bonds4

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

3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112969398) has the molecular formula C15H9F4N5 and a molecular weight of 335.26 g/mol. Its IUPAC name is 3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112969398
Molecular FormulaC15H9F4N5
Molecular Weight335.26 g/mol
Exact Mass335.08
IUPAC Name3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccc(Nc2cnnc(Nc3ccc(F)cc3F)n2)c(F)c1
InChIInChI=1S/C15H9F4N5/c16-8-1-3-12(10(18)5-8)21-14-7-20-24-15(23-14)22-13-4-2-9(17)6-11(13)19/h1-7H,(H2,21,22,23,24)
InChIKeyQDMZQVRYTQHFTD-UHFFFAOYSA-N
XLogP3.92
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(2,4-difluorophenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964941
5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964736
5-N-(2,4-difluorophenyl)-3-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963451
3-N-(2,4-difluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112968260
5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969359
5-N-(3-chloro-2-methylphenyl)-3-N-(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966183
3-N-(2,6-diethylphenyl)-5-N-(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965068
methyl 2-[[3-(2,4-difluoroanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112968619
5-N-(2,4-difluorophenyl)-3-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948848
3-N-(2,4-difluorophenyl)-5-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112968914
3-N-(2-chloro-4,6-dimethylphenyl)-5-N-(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966781
5-N-(2,4-difluorophenyl)-3-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112968928

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine (CID 112969398) is 3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine is Fc1ccc(Nc2cnnc(Nc3ccc(F)cc3F)n2)c(F)c1.
What is the InChIKey of 3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is QDMZQVRYTQHFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N5/c16-8-1-3-12(10(18)5-8)21-14-7-20-24-15(23-14)22-13-4-2-9(17)6-11(13)19/h1-7H,(H2,21,22,23,24).
What are the key properties of 3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 335.26 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112969398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).