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

C13H14N4O2 — CID 82421038

IUPAC1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(-c2cccc(OC)c2)c(C)cc1=O
InChIInChI=1S/C13H14N4O2/c1-8-6-11(18)12(13(14)15)16-17(8)9-4-3-5-10(7-9)19-2/h3-7H,1-2H3,(H3,14,15)
InChIKeyQDFKTHSNLHSGRP-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.83
Rot. Bonds3

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

1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide (PubChem CID 82421038) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
PubChem CID82421038
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(-c2cccc(OC)c2)c(C)cc1=O
InChIInChI=1S/C13H14N4O2/c1-8-6-11(18)12(13(14)15)16-17(8)9-4-3-5-10(7-9)19-2/h3-7H,1-2H3,(H3,14,15)
InChIKeyQDFKTHSNLHSGRP-UHFFFAOYSA-N
XLogP0.83
TPSA93.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82422054
1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82420628
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
CID 82421029
3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride
CID 82421053
5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 130407768
1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419046
1-(3-methoxyphenyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridazin-4-one
CID 82421034
6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid
CID 94962369
1-(3-methoxyphenyl)-5-methyl-N-propylpyrazole-3-carboxamide
CID 110373151
1-(2,6-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carbothioamide
CID 82420278
6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
CID 167743128

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide?
The IUPAC name of 1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide (CID 82421038) is 1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide?
The canonical SMILES for 1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide is [H]/N=C(\N)c1nn(-c2cccc(OC)c2)c(C)cc1=O.
What is the InChIKey of 1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide?
The InChIKey is QDFKTHSNLHSGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-6-11(18)12(13(14)15)16-17(8)9-4-3-5-10(7-9)19-2/h3-7H,1-2H3,(H3,14,15).
What are the key properties of 1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide?
1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide has a molecular weight of 258.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide is sourced from PubChem (CID 82421038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).