4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one

C17H23N3O2 — CID 82444307

IUPAC4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
SMILESCCC(C)NCc1cc(-c2ccc(OC)cc2)nn(C)c1=O
InChIInChI=1S/C17H23N3O2/c1-5-12(2)18-11-14-10-16(19-20(3)17(14)21)13-6-8-15(22-4)9-7-13/h6-10,12,18H,5,11H2,1-4H3
InChIKeyOTAGWZCZRXVHKT-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.34
Rot. Bonds6

About 4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one

4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one (PubChem CID 82444307) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
PubChem CID82444307
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
SMILESCCC(C)NCc1cc(-c2ccc(OC)cc2)nn(C)c1=O
InChIInChI=1S/C17H23N3O2/c1-5-12(2)18-11-14-10-16(19-20(3)17(14)21)13-6-8-15(22-4)9-7-13/h6-10,12,18H,5,11H2,1-4H3
InChIKeyOTAGWZCZRXVHKT-UHFFFAOYSA-N
XLogP2.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444306
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444297
2-methyl-4-(methylaminomethyl)-6-(4-propan-2-yloxyphenyl)pyridazin-3-one
CID 82444356
4-[(butan-2-ylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443126
6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one
CID 82444331
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
CID 82444299
4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one
CID 82443838
4-(chloromethyl)-6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 82444338
2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82443803
6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444050
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444298
3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42759669

Frequently Asked Questions

What is the IUPAC name of 4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one?
The IUPAC name of 4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one (CID 82444307) is 4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one is CCC(C)NCc1cc(-c2ccc(OC)cc2)nn(C)c1=O.
What is the InChIKey of 4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one?
The InChIKey is OTAGWZCZRXVHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-12(2)18-11-14-10-16(19-20(3)17(14)21)13-6-8-15(22-4)9-7-13/h6-10,12,18H,5,11H2,1-4H3.
What are the key properties of 4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one?
4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one has a molecular weight of 301.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 82444307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).