N-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine

C13H9FN4 — CID 67301334

IUPACN-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine
SMILESFc1ccc(Nc2nnnc3ccccc23)cc1
InChIInChI=1S/C13H9FN4/c14-9-5-7-10(8-6-9)15-13-11-3-1-2-4-12(11)16-18-17-13/h1-8H,(H,15,16,17)
InChIKeyJYNRPMONMUAPLH-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.91
Rot. Bonds2

About N-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine

N-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine (PubChem CID 67301334) has the molecular formula C13H9FN4 and a molecular weight of 240.24 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine
PubChem CID67301334
Molecular FormulaC13H9FN4
Molecular Weight240.24 g/mol
Exact Mass240.08
IUPAC NameN-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine
SMILESFc1ccc(Nc2nnnc3ccccc23)cc1
InChIInChI=1S/C13H9FN4/c14-9-5-7-10(8-6-9)15-13-11-3-1-2-4-12(11)16-18-17-13/h1-8H,(H,15,16,17)
InChIKeyJYNRPMONMUAPLH-UHFFFAOYSA-N
XLogP2.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-1,2,3-benzotriazin-4-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-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine
CID 1489418
N-(3-bromophenyl)-1,2,3-benzotriazin-4-amine
CID 5328023
N-(4-fluorophenyl)-4-methylphthalazin-1-amine
CID 1386569
N,6-bis(4-fluorophenyl)pyridazin-3-amine
CID 6411189
N-(3-fluorophenyl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 6411191
N-(3-fluorophenyl)-1H-indazol-3-amine
CID 25096268
N*2*-(3-Fluoro-phenyl)-quinazoline-2,4-diamine
CID 653020
N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine
CID 1489417
N-(2,4-difluorophenyl)quinolin-2-amine
CID 2320270
CID 2952346
CID 2952346
4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine
CID 164609727
N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine
CID 300101

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine (CID 67301334) is N-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine is Fc1ccc(Nc2nnnc3ccccc23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine?
The InChIKey is JYNRPMONMUAPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4/c14-9-5-7-10(8-6-9)15-13-11-3-1-2-4-12(11)16-18-17-13/h1-8H,(H,15,16,17).
What are the key properties of N-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine?
N-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine has a molecular weight of 240.24 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine is sourced from PubChem (CID 67301334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).