N-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine

C14H9BrN6 — CID 6419347

IUPACN-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine
SMILESBrc1cccc(Nc2ncnc3cc4n[nH]nc4cc23)c1
InChIInChI=1S/C14H9BrN6/c15-8-2-1-3-9(4-8)18-14-10-5-12-13(20-21-19-12)6-11(10)16-7-17-14/h1-7H,(H,16,17,18)(H,19,20,21)
InChIKeyVICIYGAOMIRRLW-UHFFFAOYSA-N
MW341.17 g/mol
LogP3.41
Rot. Bonds2

About N-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine

N-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine (PubChem CID 6419347) has the molecular formula C14H9BrN6 and a molecular weight of 341.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine
PubChem CID6419347
Molecular FormulaC14H9BrN6
Molecular Weight341.17 g/mol
Exact Mass340.01
IUPAC NameN-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine
SMILESBrc1cccc(Nc2ncnc3cc4n[nH]nc4cc23)c1
InChIInChI=1S/C14H9BrN6/c15-8-2-1-3-9(4-8)18-14-10-5-12-13(20-21-19-12)6-11(10)16-7-17-14/h1-7H,(H,16,17,18)(H,19,20,21)
InChIKeyVICIYGAOMIRRLW-UHFFFAOYSA-N
XLogP3.41
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine?
The IUPAC name of N-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine (CID 6419347) is N-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine.
What is the SMILES notation for N-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine?
The canonical SMILES for N-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine is Brc1cccc(Nc2ncnc3cc4n[nH]nc4cc23)c1.
What is the InChIKey of N-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine?
The InChIKey is VICIYGAOMIRRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN6/c15-8-2-1-3-9(4-8)18-14-10-5-12-13(20-21-19-12)6-11(10)16-7-17-14/h1-7H,(H,16,17,18)(H,19,20,21).
What are the key properties of N-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine?
N-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine has a molecular weight of 341.17 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2H-triazolo[4,5-g]quinazolin-8-amine is sourced from PubChem (CID 6419347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).