6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one

C14H17N3O3 — CID 154758297

IUPAC6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one
SMILESCOc1ccc(OC)c(CNc2ccc(=O)n(C)n2)c1
InChIInChI=1S/C14H17N3O3/c1-17-14(18)7-6-13(16-17)15-9-10-8-11(19-2)4-5-12(10)20-3/h4-8H,9H2,1-3H3,(H,15,16)
InChIKeyGOBZFGSVWZLOJG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.41
Rot. Bonds5

About 6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one

6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one (PubChem CID 154758297) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one
PubChem CID154758297
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one
SMILESCOc1ccc(OC)c(CNc2ccc(=O)n(C)n2)c1
InChIInChI=1S/C14H17N3O3/c1-17-14(18)7-6-13(16-17)15-9-10-8-11(19-2)4-5-12(10)20-3/h4-8H,9H2,1-3H3,(H,15,16)
InChIKeyGOBZFGSVWZLOJG-UHFFFAOYSA-N
XLogP1.41
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid
CID 19624729
N-[(2,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909000
4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 56811795
2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine
CID 11844762
N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
CID 937758
N-[(2,5-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 791602
N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 39424379
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine
CID 66351900
1-N-[(2,5-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39387639
N-[(2,5-dimethoxyphenyl)methyl]-2-ethyl-6-methylaniline
CID 60924688
N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
CID 126464995

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one (CID 154758297) is 6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one is COc1ccc(OC)c(CNc2ccc(=O)n(C)n2)c1.
What is the InChIKey of 6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one?
The InChIKey is GOBZFGSVWZLOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17-14(18)7-6-13(16-17)15-9-10-8-11(19-2)4-5-12(10)20-3/h4-8H,9H2,1-3H3,(H,15,16).
What are the key properties of 6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one?
6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one has a molecular weight of 275.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 154758297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).