3-methyl-1H-pyridazin-6-one;hydrobromide

C5H7BrN2O — CID 3024166

IUPAC3-methyl-1H-pyridazin-6-one;hydrobromide
SMILESBr.Cc1ccc(=O)[nH]n1
InChIInChI=1S/C5H6N2O.BrH/c1-4-2-3-5(8)7-6-4;/h2-3H,1H3,(H,7,8);1H
InChIKeyREHDHXORJFGFPO-UHFFFAOYSA-N
MW191.03 g/mol
LogP0.66
Rot. Bonds

About 3-methyl-1H-pyridazin-6-one;hydrobromide

3-methyl-1H-pyridazin-6-one;hydrobromide (PubChem CID 3024166) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is 3-methyl-1H-pyridazin-6-one;hydrobromide.

Molecular Properties

Compound Name3-methyl-1H-pyridazin-6-one;hydrobromide
PubChem CID3024166
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name3-methyl-1H-pyridazin-6-one;hydrobromide
SMILESBr.Cc1ccc(=O)[nH]n1
InChIInChI=1S/C5H6N2O.BrH/c1-4-2-3-5(8)7-6-4;/h2-3H,1H3,(H,7,8);1H
InChIKeyREHDHXORJFGFPO-UHFFFAOYSA-N
XLogP0.66
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-pyridazin-6-one;hydrobromide?
The IUPAC name of 3-methyl-1H-pyridazin-6-one;hydrobromide (CID 3024166) is 3-methyl-1H-pyridazin-6-one;hydrobromide.
What is the SMILES notation for 3-methyl-1H-pyridazin-6-one;hydrobromide?
The canonical SMILES for 3-methyl-1H-pyridazin-6-one;hydrobromide is Br.Cc1ccc(=O)[nH]n1.
What is the InChIKey of 3-methyl-1H-pyridazin-6-one;hydrobromide?
The InChIKey is REHDHXORJFGFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.BrH/c1-4-2-3-5(8)7-6-4;/h2-3H,1H3,(H,7,8);1H.
What are the key properties of 3-methyl-1H-pyridazin-6-one;hydrobromide?
3-methyl-1H-pyridazin-6-one;hydrobromide has a molecular weight of 191.03 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-pyridazin-6-one;hydrobromide is sourced from PubChem (CID 3024166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).