5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine

C15H11ClFN5 — CID 112965455

IUPAC5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccccc1Nc1nncc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H11ClFN5/c16-10-4-3-5-11(8-10)19-14-9-18-22-15(21-14)20-13-7-2-1-6-12(13)17/h1-9H,(H2,19,20,21,22)
InChIKeyCBXFNGNPUAUMFI-UHFFFAOYSA-N
MW315.74 g/mol
LogP4.15
Rot. Bonds4

About 5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine

5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112965455) has the molecular formula C15H11ClFN5 and a molecular weight of 315.74 g/mol. Its IUPAC name is 5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112965455
Molecular FormulaC15H11ClFN5
Molecular Weight315.74 g/mol
Exact Mass315.07
IUPAC Name5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccccc1Nc1nncc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H11ClFN5/c16-10-4-3-5-11(8-10)19-14-9-18-22-15(21-14)20-13-7-2-1-6-12(13)17/h1-9H,(H2,19,20,21,22)
InChIKeyCBXFNGNPUAUMFI-UHFFFAOYSA-N
XLogP4.15
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965905
3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965993
3-N-(3-chloro-4-fluorophenyl)-5-N-(3-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965852
5-N-(2,5-dichlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965518
N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112965483
3-N-(2,4-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969085
5-N-(3,5-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969577
3-N-(3-chlorophenyl)-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965982
3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962174
3-N-(2,4-dichlorophenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961614
2-[[3-(3-chloroanilino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112965987
3-N-(3-chlorophenyl)-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963487

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine (CID 112965455) is 5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine is Fc1ccccc1Nc1nncc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is CBXFNGNPUAUMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5/c16-10-4-3-5-11(8-10)19-14-9-18-22-15(21-14)20-13-7-2-1-6-12(13)17/h1-9H,(H2,19,20,21,22).
What are the key properties of 5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine?
5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 315.74 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112965455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).