1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide

C14H16N4O2 — CID 82420628

IUPAC1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(-c2cc(C)ccc2OC)c(C)cc1=O
InChIInChI=1S/C14H16N4O2/c1-8-4-5-12(20-3)10(6-8)18-9(2)7-11(19)13(17-18)14(15)16/h4-7H,1-3H3,(H3,15,16)
InChIKeyHNMAKXPKKXVQHJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.14
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide

1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide (PubChem CID 82420628) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
PubChem CID82420628
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(-c2cc(C)ccc2OC)c(C)cc1=O
InChIInChI=1S/C14H16N4O2/c1-8-4-5-12(20-3)10(6-8)18-9(2)7-11(19)13(17-18)14(15)16/h4-7H,1-3H3,(H3,15,16)
InChIKeyHNMAKXPKKXVQHJ-UHFFFAOYSA-N
XLogP1.14
TPSA93.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.14
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

3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one
CID 82420636
1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82421038
1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbothioamide
CID 82420534
3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82420543
1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419537
1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82422054
1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82200726
6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
CID 82444532
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154905
1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419046
(2-methoxyphenyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 26688241
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide (CID 82420628) is 1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide is [H]/N=C(\N)c1nn(-c2cc(C)ccc2OC)c(C)cc1=O.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide?
The InChIKey is HNMAKXPKKXVQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-4-5-12(20-3)10(6-8)18-9(2)7-11(19)13(17-18)14(15)16/h4-7H,1-3H3,(H3,15,16).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide?
1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide has a molecular weight of 272.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide is sourced from PubChem (CID 82420628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).