5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine

C19H20F2N6 — CID 112968894

IUPAC5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1ccc(Nc2cnnc(Nc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C19H20F2N6/c1-3-27(4-2)15-8-5-13(6-9-15)23-18-12-22-26-19(25-18)24-14-7-10-16(20)17(21)11-14/h5-12H,3-4H2,1-2H3,(H2,23,24,25,26)
InChIKeyVHEUXLBAPYXULP-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.48
Rot. Bonds7

About 5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine

5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112968894) has the molecular formula C19H20F2N6 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112968894
Molecular FormulaC19H20F2N6
Molecular Weight370.41 g/mol
Exact Mass370.17
IUPAC Name5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1ccc(Nc2cnnc(Nc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C19H20F2N6/c1-3-27(4-2)15-8-5-13(6-9-15)23-18-12-22-26-19(25-18)24-14-7-10-16(20)17(21)11-14/h5-12H,3-4H2,1-2H3,(H2,23,24,25,26)
InChIKeyVHEUXLBAPYXULP-UHFFFAOYSA-N
XLogP4.48
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-N-(3-chloro-4-fluorophenyl)-5-N-[4-(diethylamino)phenyl]-1,2,4-triazine-3,5-diamine
CID 112966687
5-N-[4-(diethylamino)phenyl]-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112968893
N-[4-[[3-[4-(diethylamino)anilino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968550
N-[4-[[5-[4-(diethylamino)anilino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968581
5-N-[4-(diethylamino)phenyl]-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967283
3-N-(3,4-difluorophenyl)-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963384
1-[4-[[5-[4-(diethylamino)anilino]-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112968441
3-N-(3,4-difluorophenyl)-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938487
5-N-tert-butyl-3-N-[4-(diethylamino)phenyl]-1,2,4-triazine-3,5-diamine
CID 112958966
5-N-[4-(diethylamino)phenyl]-3-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963087
5-N-(4-bromo-3-methylphenyl)-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969226
5-N-(3,4-difluorophenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112969056

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine (CID 112968894) is 5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine is CCN(CC)c1ccc(Nc2cnnc(Nc3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of 5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is VHEUXLBAPYXULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6/c1-3-27(4-2)15-8-5-13(6-9-15)23-18-12-22-26-19(25-18)24-14-7-10-16(20)17(21)11-14/h5-12H,3-4H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 370.41 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112968894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).