1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide

C12H11BrN4O — CID 82422054

IUPAC1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(-c2cccc(Br)c2)c(C)cc1=O
InChIInChI=1S/C12H11BrN4O/c1-7-5-10(18)11(12(14)15)16-17(7)9-4-2-3-8(13)6-9/h2-6H,1H3,(H3,14,15)
InChIKeyAYJIYPGOPQTEQZ-UHFFFAOYSA-N
MW307.15 g/mol
LogP1.59
Rot. Bonds2

About 1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide

1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide (PubChem CID 82422054) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
PubChem CID82422054
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(-c2cccc(Br)c2)c(C)cc1=O
InChIInChI=1S/C12H11BrN4O/c1-7-5-10(18)11(12(14)15)16-17(7)9-4-2-3-8(13)6-9/h2-6H,1H3,(H3,14,15)
InChIKeyAYJIYPGOPQTEQZ-UHFFFAOYSA-N
XLogP1.59
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82421038
1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82420628
2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine
CID 82093865
[1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine
CID 116818525
1-(2,6-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carbothioamide
CID 82420278
2-(3-bromophenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 75481580
6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
CID 167743128
4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide
CID 114904706
ethyl 1-(3-bromophenyl)-4-ethoxy-6-oxopyridazine-3-carboxylate
CID 7386784
ethyl 1-(3-bromophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate
CID 7386837
3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one
CID 82421210
1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 11543623

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide?
The IUPAC name of 1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide (CID 82422054) is 1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide.
What is the SMILES notation for 1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide?
The canonical SMILES for 1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide is [H]/N=C(\N)c1nn(-c2cccc(Br)c2)c(C)cc1=O.
What is the InChIKey of 1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide?
The InChIKey is AYJIYPGOPQTEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c1-7-5-10(18)11(12(14)15)16-17(7)9-4-2-3-8(13)6-9/h2-6H,1H3,(H3,14,15).
What are the key properties of 1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide?
1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide has a molecular weight of 307.15 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide is sourced from PubChem (CID 82422054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).