N-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C16H11BrFN5 — CID 156556911

IUPACN-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cccc(Br)c1)c1nc2nncn2c2ccc(F)cc12
InChIInChI=1S/C16H11BrFN5/c1-22(12-4-2-3-10(17)7-12)15-13-8-11(18)5-6-14(13)23-9-19-21-16(23)20-15/h2-9H,1H3
InChIKeyZKHBZLPLRAYZIL-UHFFFAOYSA-N
MW372.20 g/mol
LogP3.95
Rot. Bonds2

About N-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

N-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156556911) has the molecular formula C16H11BrFN5 and a molecular weight of 372.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156556911
Molecular FormulaC16H11BrFN5
Molecular Weight372.20 g/mol
Exact Mass371.02
IUPAC NameN-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cccc(Br)c1)c1nc2nncn2c2ccc(F)cc12
InChIInChI=1S/C16H11BrFN5/c1-22(12-4-2-3-10(17)7-12)15-13-8-11(18)5-6-14(13)23-9-19-21-16(23)20-15/h2-9H,1H3
InChIKeyZKHBZLPLRAYZIL-UHFFFAOYSA-N
XLogP3.95
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156556911) is N-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1cccc(Br)c1)c1nc2nncn2c2ccc(F)cc12.
What is the InChIKey of N-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is ZKHBZLPLRAYZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN5/c1-22(12-4-2-3-10(17)7-12)15-13-8-11(18)5-6-14(13)23-9-19-21-16(23)20-15/h2-9H,1H3.
What are the key properties of N-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 372.20 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156556911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).