3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one

C15H19N3O2 — CID 82446062

IUPAC3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one
SMILESCOc1ccc(-c2cc(CNC(C)C)c(=O)[nH]n2)cc1
InChIInChI=1S/C15H19N3O2/c1-10(2)16-9-12-8-14(17-18-15(12)19)11-4-6-13(20-3)7-5-11/h4-8,10,16H,9H2,1-3H3,(H,18,19)
InChIKeyASLPCNMCOJPWSY-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.94
Rot. Bonds5

About 3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one

3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one (PubChem CID 82446062) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one
PubChem CID82446062
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one
SMILESCOc1ccc(-c2cc(CNC(C)C)c(=O)[nH]n2)cc1
InChIInChI=1S/C15H19N3O2/c1-10(2)16-9-12-8-14(17-18-15(12)19)11-4-6-13(20-3)7-5-11/h4-8,10,16H,9H2,1-3H3,(H,18,19)
InChIKeyASLPCNMCOJPWSY-UHFFFAOYSA-N
XLogP1.94
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 165487946
5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one
CID 82446197
5-[(butan-2-ylamino)methyl]-3-(4-ethylphenyl)-1H-pyridazin-6-one
CID 82445482
5-(bromomethyl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one
CID 82445918
5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one
CID 82445513
3-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1H-pyridazin-6-one
CID 82446251
3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
CID 82446311
3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one
CID 82445686
4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444307
5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one
CID 82445389
3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82446278
3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol
CID 14568875

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one (CID 82446062) is 3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one is COc1ccc(-c2cc(CNC(C)C)c(=O)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one?
The InChIKey is ASLPCNMCOJPWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)16-9-12-8-14(17-18-15(12)19)11-4-6-13(20-3)7-5-11/h4-8,10,16H,9H2,1-3H3,(H,18,19).
What are the key properties of 3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one?
3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one has a molecular weight of 273.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 82446062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).