4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide

C11H12BrN3O — CID 135770315

IUPAC4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide
SMILESBr.Cc1cc(-c2ccc(O)cc2)nnc1N
InChIInChI=1S/C11H11N3O.BrH/c1-7-6-10(13-14-11(7)12)8-2-4-9(15)5-3-8;/h2-6,15H,1H3,(H2,12,14);1H
InChIKeyBLEYTSPRBMOPBS-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.32
Rot. Bonds1

About 4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide

4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide (PubChem CID 135770315) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide.

Molecular Properties

Compound Name4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide
PubChem CID135770315
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide
SMILESBr.Cc1cc(-c2ccc(O)cc2)nnc1N
InChIInChI=1S/C11H11N3O.BrH/c1-7-6-10(13-14-11(7)12)8-2-4-9(15)5-3-8;/h2-6,15H,1H3,(H2,12,14);1H
InChIKeyBLEYTSPRBMOPBS-UHFFFAOYSA-N
XLogP2.32
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide?
The IUPAC name of 4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide (CID 135770315) is 4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide.
What is the SMILES notation for 4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide?
The canonical SMILES for 4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide is Br.Cc1cc(-c2ccc(O)cc2)nnc1N.
What is the InChIKey of 4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide?
The InChIKey is BLEYTSPRBMOPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.BrH/c1-7-6-10(13-14-11(7)12)8-2-4-9(15)5-3-8;/h2-6,15H,1H3,(H2,12,14);1H.
What are the key properties of 4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide?
4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide has a molecular weight of 282.14 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-methylpyridazin-3-yl)phenol;hydrobromide is sourced from PubChem (CID 135770315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).