8-bromo-7-fluoro-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C16H11BrFN5 — CID 156557124

IUPAC8-bromo-7-fluoro-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1ccccc1)c1nc2nncn2c2cc(Br)c(F)cc12
InChIInChI=1S/C16H11BrFN5/c1-22(10-5-3-2-4-6-10)15-11-7-13(18)12(17)8-14(11)23-9-19-21-16(23)20-15/h2-9H,1H3
InChIKeyQIAQTWUAHUODTM-UHFFFAOYSA-N
MW372.20 g/mol
LogP3.95
Rot. Bonds2

About 8-bromo-7-fluoro-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

8-bromo-7-fluoro-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156557124) has the molecular formula C16H11BrFN5 and a molecular weight of 372.20 g/mol. Its IUPAC name is 8-bromo-7-fluoro-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound Name8-bromo-7-fluoro-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156557124
Molecular FormulaC16H11BrFN5
Molecular Weight372.20 g/mol
Exact Mass371.02
IUPAC Name8-bromo-7-fluoro-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1ccccc1)c1nc2nncn2c2cc(Br)c(F)cc12
InChIInChI=1S/C16H11BrFN5/c1-22(10-5-3-2-4-6-10)15-11-7-13(18)12(17)8-14(11)23-9-19-21-16(23)20-15/h2-9H,1H3
InChIKeyQIAQTWUAHUODTM-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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of 8-bromo-7-fluoro-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156557124) is 8-bromo-7-fluoro-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for 8-bromo-7-fluoro-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for 8-bromo-7-fluoro-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1ccccc1)c1nc2nncn2c2cc(Br)c(F)cc12.
What is the InChIKey of 8-bromo-7-fluoro-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is QIAQTWUAHUODTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN5/c1-22(10-5-3-2-4-6-10)15-11-7-13(18)12(17)8-14(11)23-9-19-21-16(23)20-15/h2-9H,1H3.
What are the key properties of 8-bromo-7-fluoro-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
8-bromo-7-fluoro-N-methyl-N-phenyl-[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 8-bromo-7-fluoro-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156557124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).