N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C12H7BrClFN6 — CID 107637186

IUPACN-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESFc1ccc(Br)c(Nc2nc(Cl)nc(-n3cccn3)n2)c1
InChIInChI=1S/C12H7BrClFN6/c13-8-3-2-7(15)6-9(8)17-11-18-10(14)19-12(20-11)21-5-1-4-16-21/h1-6H,(H,17,18,19,20)
InChIKeyWWNSRUMPHZARRI-UHFFFAOYSA-N
MW369.59 g/mol
LogP3.36
Rot. Bonds3

About N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine

N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 107637186) has the molecular formula C12H7BrClFN6 and a molecular weight of 369.59 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID107637186
Molecular FormulaC12H7BrClFN6
Molecular Weight369.59 g/mol
Exact Mass367.96
IUPAC NameN-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESFc1ccc(Br)c(Nc2nc(Cl)nc(-n3cccn3)n2)c1
InChIInChI=1S/C12H7BrClFN6/c13-8-3-2-7(15)6-9(8)17-11-18-10(14)19-12(20-11)21-5-1-4-16-21/h1-6H,(H,17,18,19,20)
InChIKeyWWNSRUMPHZARRI-UHFFFAOYSA-N
XLogP3.36
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine 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

N-(2-bromo-4-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62868310
4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62869686
N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62869497
4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62868809
4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 107637029
2-N-(2,5-dibromophenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80781160
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 62868993
4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine
CID 66355031
2-bromo-5-fluoro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 107632988
4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868495
6-bromo-N-(2-bromo-5-fluorophenyl)pyridin-2-amine
CID 107637214
2-chloro-4-(3-chloro-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine
CID 115504732

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 107637186) is N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Fc1ccc(Br)c(Nc2nc(Cl)nc(-n3cccn3)n2)c1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is WWNSRUMPHZARRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN6/c13-8-3-2-7(15)6-9(8)17-11-18-10(14)19-12(20-11)21-5-1-4-16-21/h1-6H,(H,17,18,19,20).
What are the key properties of N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 369.59 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 107637186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).