2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one

C14H17N3O2 — CID 106548362

IUPAC2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
SMILESCOc1ccc(CN)cc1Cn1ncc(C)cc1=O
InChIInChI=1S/C14H17N3O2/c1-10-5-14(18)17(16-8-10)9-12-6-11(7-15)3-4-13(12)19-2/h3-6,8H,7,9,15H2,1-2H3
InChIKeyMXZJWMXSHMZGPX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.07
Rot. Bonds4

About 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one

2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one (PubChem CID 106548362) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
PubChem CID106548362
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
SMILESCOc1ccc(CN)cc1Cn1ncc(C)cc1=O
InChIInChI=1S/C14H17N3O2/c1-10-5-14(18)17(16-8-10)9-12-6-11(7-15)3-4-13(12)19-2/h3-6,8H,7,9,15H2,1-2H3
InChIKeyMXZJWMXSHMZGPX-UHFFFAOYSA-N
XLogP1.07
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
CID 106548508
4-methoxy-3-[(4-methyl-6-oxopyridazin-1-yl)methyl]benzenecarbothioamide
CID 106548701
5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one
CID 103218397
2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393496
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one
CID 80581760
2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one
CID 62850130
2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548987
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 103531243
2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one
CID 106549024
2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one
CID 22892828
methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548424
2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one
CID 62850131

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one (CID 106548362) is 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one is COc1ccc(CN)cc1Cn1ncc(C)cc1=O.
What is the InChIKey of 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one?
The InChIKey is MXZJWMXSHMZGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-5-14(18)17(16-8-10)9-12-6-11(7-15)3-4-13(12)19-2/h3-6,8H,7,9,15H2,1-2H3.
What are the key properties of 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one?
2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one has a molecular weight of 259.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).