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

C17H15F2N5 — CID 112949181

IUPAC5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESCC(Nc1nncc(Nc2ccc(F)cc2F)n1)c1ccccc1
InChIInChI=1S/C17H15F2N5/c1-11(12-5-3-2-4-6-12)21-17-23-16(10-20-24-17)22-15-8-7-13(18)9-14(15)19/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyNPSTYHTUXOAZIV-UHFFFAOYSA-N
MW327.34 g/mol
LogP4.07
Rot. Bonds5

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

5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112949181) has the molecular formula C17H15F2N5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112949181
Molecular FormulaC17H15F2N5
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESCC(Nc1nncc(Nc2ccc(F)cc2F)n1)c1ccccc1
InChIInChI=1S/C17H15F2N5/c1-11(12-5-3-2-4-6-12)21-17-23-16(10-20-24-17)22-15-8-7-13(18)9-14(15)19/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyNPSTYHTUXOAZIV-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949106
3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969398
5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964736
5-N-(3-chloro-4-fluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949132
3-N-(2,6-diethylphenyl)-5-N-(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965068
5-N-(2,4-difluorophenyl)-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951001
5-N-(2,4-difluorophenyl)-3-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963451
5-N-(3-chloro-2-methylphenyl)-3-N-(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966183
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-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964941
5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112939002

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine (CID 112949181) is 5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine is CC(Nc1nncc(Nc2ccc(F)cc2F)n1)c1ccccc1.
What is the InChIKey of 5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is NPSTYHTUXOAZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5/c1-11(12-5-3-2-4-6-12)21-17-23-16(10-20-24-17)22-15-8-7-13(18)9-14(15)19/h2-11H,1H3,(H2,21,22,23,24).
What are the key properties of 5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 327.34 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112949181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).