5,6-dibromopyridazin-3-amine

C4H3Br2N3 — CID 174782025

IUPAC5,6-dibromopyridazin-3-amine
SMILESNc1cc(Br)c(Br)nn1
InChIInChI=1S/C4H3Br2N3/c5-2-1-3(7)8-9-4(2)6/h1H,(H2,7,8)
InChIKeyTWRKWVBUKOXHRX-UHFFFAOYSA-N
MW252.90 g/mol
LogP1.58
Rot. Bonds

About 5,6-dibromopyridazin-3-amine

5,6-dibromopyridazin-3-amine (PubChem CID 174782025) has the molecular formula C4H3Br2N3 and a molecular weight of 252.90 g/mol. Its IUPAC name is 5,6-dibromopyridazin-3-amine.

Molecular Properties

Compound Name5,6-dibromopyridazin-3-amine
PubChem CID174782025
Molecular FormulaC4H3Br2N3
Molecular Weight252.90 g/mol
Exact Mass250.87
IUPAC Name5,6-dibromopyridazin-3-amine
SMILESNc1cc(Br)c(Br)nn1
InChIInChI=1S/C4H3Br2N3/c5-2-1-3(7)8-9-4(2)6/h1H,(H2,7,8)
InChIKeyTWRKWVBUKOXHRX-UHFFFAOYSA-N
XLogP1.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.90
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromopyridazin-3-amine?
The IUPAC name of 5,6-dibromopyridazin-3-amine (CID 174782025) is 5,6-dibromopyridazin-3-amine.
What is the SMILES notation for 5,6-dibromopyridazin-3-amine?
The canonical SMILES for 5,6-dibromopyridazin-3-amine is Nc1cc(Br)c(Br)nn1.
What is the InChIKey of 5,6-dibromopyridazin-3-amine?
The InChIKey is TWRKWVBUKOXHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Br2N3/c5-2-1-3(7)8-9-4(2)6/h1H,(H2,7,8).
What are the key properties of 5,6-dibromopyridazin-3-amine?
5,6-dibromopyridazin-3-amine has a molecular weight of 252.90 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromopyridazin-3-amine is sourced from PubChem (CID 174782025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).