5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine

C10H7BrN6 — CID 103099031

IUPAC5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(-c2nncc3ccccc23)n1
InChIInChI=1S/C10H7BrN6/c11-9-14-10(12)16-17(9)8-7-4-2-1-3-6(7)5-13-15-8/h1-5H,(H2,12,16)
InChIKeyFOQZNAAIUCUNNA-UHFFFAOYSA-N
MW291.11 g/mol
LogP1.56
Rot. Bonds1

About 5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine

5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine (PubChem CID 103099031) has the molecular formula C10H7BrN6 and a molecular weight of 291.11 g/mol. Its IUPAC name is 5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine
PubChem CID103099031
Molecular FormulaC10H7BrN6
Molecular Weight291.11 g/mol
Exact Mass289.99
IUPAC Name5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(-c2nncc3ccccc23)n1
InChIInChI=1S/C10H7BrN6/c11-9-14-10(12)16-17(9)8-7-4-2-1-3-6(7)5-13-15-8/h1-5H,(H2,12,16)
InChIKeyFOQZNAAIUCUNNA-UHFFFAOYSA-N
XLogP1.56
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-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 5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine (CID 103099031) is 5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine is Nc1nc(Br)n(-c2nncc3ccccc23)n1.
What is the InChIKey of 5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine?
The InChIKey is FOQZNAAIUCUNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN6/c11-9-14-10(12)16-17(9)8-7-4-2-1-3-6(7)5-13-15-8/h1-5H,(H2,12,16).
What are the key properties of 5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine?
5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine has a molecular weight of 291.11 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 103099031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).