4-bromo-6-phenylpyridazin-3-amine

C10H8BrN3 — CID 58386360

IUPAC4-bromo-6-phenylpyridazin-3-amine
SMILESNc1nnc(-c2ccccc2)cc1Br
InChIInChI=1S/C10H8BrN3/c11-8-6-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-6H,(H2,12,14)
InChIKeyCSOXLGFLLCUBTO-UHFFFAOYSA-N
MW250.10 g/mol
LogP2.49
Rot. Bonds1

About 4-bromo-6-phenylpyridazin-3-amine

4-bromo-6-phenylpyridazin-3-amine (PubChem CID 58386360) has the molecular formula C10H8BrN3 and a molecular weight of 250.10 g/mol. Its IUPAC name is 4-bromo-6-phenylpyridazin-3-amine.

Molecular Properties

Compound Name4-bromo-6-phenylpyridazin-3-amine
PubChem CID58386360
Molecular FormulaC10H8BrN3
Molecular Weight250.10 g/mol
Exact Mass248.99
IUPAC Name4-bromo-6-phenylpyridazin-3-amine
SMILESNc1nnc(-c2ccccc2)cc1Br
InChIInChI=1S/C10H8BrN3/c11-8-6-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-6H,(H2,12,14)
InChIKeyCSOXLGFLLCUBTO-UHFFFAOYSA-N
XLogP2.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-phenylpyridazin-3-amine?
The IUPAC name of 4-bromo-6-phenylpyridazin-3-amine (CID 58386360) is 4-bromo-6-phenylpyridazin-3-amine.
What is the SMILES notation for 4-bromo-6-phenylpyridazin-3-amine?
The canonical SMILES for 4-bromo-6-phenylpyridazin-3-amine is Nc1nnc(-c2ccccc2)cc1Br.
What is the InChIKey of 4-bromo-6-phenylpyridazin-3-amine?
The InChIKey is CSOXLGFLLCUBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3/c11-8-6-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-6H,(H2,12,14).
What are the key properties of 4-bromo-6-phenylpyridazin-3-amine?
4-bromo-6-phenylpyridazin-3-amine has a molecular weight of 250.10 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-phenylpyridazin-3-amine is sourced from PubChem (CID 58386360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).