2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide

C15H20BrN3O — CID 46919112

IUPAC2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide
SMILESBr.[H]/N=c1\ccc(-c2ccc(OC)cc2)nn1CCCC
InChIInChI=1S/C15H19N3O.BrH/c1-3-4-11-18-15(16)10-9-14(17-18)12-5-7-13(19-2)8-6-12;/h5-10,16H,3-4,11H2,1-2H3;1H/b16-15+;
InChIKeyZQCHDCHEEKULKT-GEEYTBSJSA-N
MW338.25 g/mol
LogP3.42
Rot. Bonds5

About 2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide

2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide (PubChem CID 46919112) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide.

Molecular Properties

Compound Name2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide
PubChem CID46919112
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide
SMILESBr.[H]/N=c1\ccc(-c2ccc(OC)cc2)nn1CCCC
InChIInChI=1S/C15H19N3O.BrH/c1-3-4-11-18-15(16)10-9-14(17-18)12-5-7-13(19-2)8-6-12;/h5-10,16H,3-4,11H2,1-2H3;1H/b16-15+;
InChIKeyZQCHDCHEEKULKT-GEEYTBSJSA-N
XLogP3.42
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-imino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]pyridazin-1-yl]butanoic acid;hydrobromide
CID 53357338
4-[6-imino-3-(4-phenoxyphenyl)pyridazin-1-yl]butanoic acid
CID 71467194
2-butyl-6-(4-methoxyphenyl)-4-(sulfanylmethyl)pyridazin-3-one
CID 82447182
2-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine
CID 162403536
4-[6-imino-3-(4-prop-2-ynoxyphenyl)pyridazin-1-yl]butanoic acid
CID 56669888
3-(4-methoxyphenyl)-1-propylpyrazol-5-amine
CID 61265330
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446847
1-butyl-5-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 82205232
4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446854
[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine
CID 84761591
3-(4-methoxyphenyl)-6-(4-propylphenyl)pyridazine
CID 14669906
3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine
CID 55047732

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide?
The IUPAC name of 2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide (CID 46919112) is 2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide.
What is the SMILES notation for 2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide?
The canonical SMILES for 2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide is Br.[H]/N=c1\ccc(-c2ccc(OC)cc2)nn1CCCC.
What is the InChIKey of 2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide?
The InChIKey is ZQCHDCHEEKULKT-GEEYTBSJSA-N. The full InChI is InChI=1S/C15H19N3O.BrH/c1-3-4-11-18-15(16)10-9-14(17-18)12-5-7-13(19-2)8-6-12;/h5-10,16H,3-4,11H2,1-2H3;1H/b16-15+;.
What are the key properties of 2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide?
2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide has a molecular weight of 338.25 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(4-methoxyphenyl)pyridazin-3-imine;hydrobromide is sourced from PubChem (CID 46919112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).