2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione

C13H15N3O3 — CID 106785880

IUPAC2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione
SMILESCOc1cc(Cn2[nH]c(=O)ccc2=O)ccc1CN
InChIInChI=1S/C13H15N3O3/c1-19-11-6-9(2-3-10(11)7-14)8-16-13(18)5-4-12(17)15-16/h2-6H,7-8,14H2,1H3,(H,15,17)
InChIKeyOWEZYFVEJXFXNC-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.05
Rot. Bonds4

About 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione

2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione (PubChem CID 106785880) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione
PubChem CID106785880
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione
SMILESCOc1cc(Cn2[nH]c(=O)ccc2=O)ccc1CN
InChIInChI=1S/C13H15N3O3/c1-19-11-6-9(2-3-10(11)7-14)8-16-13(18)5-4-12(17)15-16/h2-6H,7-8,14H2,1H3,(H,15,17)
InChIKeyOWEZYFVEJXFXNC-UHFFFAOYSA-N
XLogP0.05
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione with MolForge

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Related Compounds

[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
CID 106785461
[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106786001
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1,4-diazepan-5-one
CID 106785491
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-3,4-diol
CID 106785777
[2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine
CID 106794463
[4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 84754831
[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 106785252
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 106785955
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-methylpiperidin-4-ol
CID 106785659
[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine
CID 106785322
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione (CID 106785880) is 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione is COc1cc(Cn2[nH]c(=O)ccc2=O)ccc1CN.
What is the InChIKey of 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione?
The InChIKey is OWEZYFVEJXFXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-19-11-6-9(2-3-10(11)7-14)8-16-13(18)5-4-12(17)15-16/h2-6H,7-8,14H2,1H3,(H,15,17).
What are the key properties of 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione?
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione has a molecular weight of 261.28 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 106785880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).