6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine

C15H10ClFN4 — CID 53354724

IUPAC6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2ccc(F)c(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C15H10ClFN4/c16-11-8-10(6-7-12(11)17)14-13(19-15(18)21-20-14)9-4-2-1-3-5-9/h1-8H,(H2,18,19,21)
InChIKeyWHNYFURMDAJUOY-UHFFFAOYSA-N
MW300.72 g/mol
LogP3.58
Rot. Bonds2

About 6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine

6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 53354724) has the molecular formula C15H10ClFN4 and a molecular weight of 300.72 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID53354724
Molecular FormulaC15H10ClFN4
Molecular Weight300.72 g/mol
Exact Mass300.06
IUPAC Name6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2ccc(F)c(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C15H10ClFN4/c16-11-8-10(6-7-12(11)17)14-13(19-15(18)21-20-14)9-4-2-1-3-5-9/h1-8H,(H2,18,19,21)
InChIKeyWHNYFURMDAJUOY-UHFFFAOYSA-N
XLogP3.58
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Lamotrigine
CID 3878
Imaradenant
CID 86676119
5,6-Diphenyl-1,2,4-triazin-3-amine
CID 78268
6-(2,6-Dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
CID 67364057
3-Hydrazino-5,6-diphenyl-1,2,4-triazine
CID 601464
3-Chloro-5,6-diphenyl-1,2,4-triazine
CID 288439
5,6-Bis(4-chlorophenyl)-3-(methylsulfanyl)-1,2,4-triazine
CID 3053046
3-(4-Chlorophenyl)-5,6-diphenyl-1,2,4-triazine
CID 6409904
6-(3,5-Dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353232
6-(3-Chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354521
6-(3,5-Dichlorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354632
6-(2,6-Dimethyl-4-pyridinyl)-5-(3-fluorophenyl)-1,2,4-triazin-3-amine
CID 67364791

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine (CID 53354724) is 6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine is Nc1nnc(-c2ccc(F)c(Cl)c2)c(-c2ccccc2)n1.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is WHNYFURMDAJUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4/c16-11-8-10(6-7-12(11)17)14-13(19-15(18)21-20-14)9-4-2-1-3-5-9/h1-8H,(H2,18,19,21).
What are the key properties of 6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine?
6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 300.72 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 53354724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).