3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine

C15H10BrN5 — CID 2804214

IUPAC3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESNc1nc2c(-c3ccc(Br)cc3)nnn2c2ccccc12
InChIInChI=1S/C15H10BrN5/c16-10-7-5-9(6-8-10)13-15-18-14(17)11-3-1-2-4-12(11)21(15)20-19-13/h1-8H,(H2,17,18)
InChIKeyVJSJQHOXJLXWRP-UHFFFAOYSA-N
MW340.18 g/mol
LogP3.29
Rot. Bonds1

About 3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine

3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 2804214) has the molecular formula C15H10BrN5 and a molecular weight of 340.18 g/mol. Its IUPAC name is 3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID2804214
Molecular FormulaC15H10BrN5
Molecular Weight340.18 g/mol
Exact Mass339.01
IUPAC Name3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESNc1nc2c(-c3ccc(Br)cc3)nnn2c2ccccc12
InChIInChI=1S/C15H10BrN5/c16-10-7-5-9(6-8-10)13-15-18-14(17)11-3-1-2-4-12(11)21(15)20-19-13/h1-8H,(H2,17,18)
InChIKeyVJSJQHOXJLXWRP-UHFFFAOYSA-N
XLogP3.29
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-bromophenyl)triazolo[1,5-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 3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine (CID 2804214) is 3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine is Nc1nc2c(-c3ccc(Br)cc3)nnn2c2ccccc12.
What is the InChIKey of 3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is VJSJQHOXJLXWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN5/c16-10-7-5-9(6-8-10)13-15-18-14(17)11-3-1-2-4-12(11)21(15)20-19-13/h1-8H,(H2,17,18).
What are the key properties of 3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine?
3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 340.18 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 2804214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).