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

C16H10BrF2N5 — CID 156536878

IUPACN-(3-bromo-5-fluorophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cc(F)cc(Br)c1)c1nc2nncn2c2ccc(F)cc12
InChIInChI=1S/C16H10BrF2N5/c1-23(12-5-9(17)4-11(19)6-12)15-13-7-10(18)2-3-14(13)24-8-20-22-16(24)21-15/h2-8H,1H3
InChIKeyCNZVWWPFNHOAIN-UHFFFAOYSA-N
MW390.19 g/mol
LogP4.09
Rot. Bonds2

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

N-(3-bromo-5-fluorophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156536878) has the molecular formula C16H10BrF2N5 and a molecular weight of 390.19 g/mol. Its IUPAC name is N-(3-bromo-5-fluorophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-bromo-5-fluorophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156536878
Molecular FormulaC16H10BrF2N5
Molecular Weight390.19 g/mol
Exact Mass389.01
IUPAC NameN-(3-bromo-5-fluorophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cc(F)cc(Br)c1)c1nc2nncn2c2ccc(F)cc12
InChIInChI=1S/C16H10BrF2N5/c1-23(12-5-9(17)4-11(19)6-12)15-13-7-10(18)2-3-14(13)24-8-20-22-16(24)21-15/h2-8H,1H3
InChIKeyCNZVWWPFNHOAIN-UHFFFAOYSA-N
XLogP4.09
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.19
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3-bromo-5-fluorophenyl)-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-bromo-5-fluorophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N-(3-bromo-5-fluorophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156536878) is N-(3-bromo-5-fluorophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N-(3-bromo-5-fluorophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N-(3-bromo-5-fluorophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1cc(F)cc(Br)c1)c1nc2nncn2c2ccc(F)cc12.
What is the InChIKey of N-(3-bromo-5-fluorophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is CNZVWWPFNHOAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2N5/c1-23(12-5-9(17)4-11(19)6-12)15-13-7-10(18)2-3-14(13)24-8-20-22-16(24)21-15/h2-8H,1H3.
What are the key properties of N-(3-bromo-5-fluorophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N-(3-bromo-5-fluorophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 390.19 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-fluorophenyl)-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156536878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).