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

C12H12N2O3 — CID 138040672

IUPAC2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione
SMILESCOc1ccc(Cn2[nH]c(=O)ccc2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-17-10-4-2-9(3-5-10)8-14-12(16)7-6-11(15)13-14/h2-7H,8H2,1H3,(H,13,15)
InChIKeyKACKFVWZCXHHQM-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.59
Rot. Bonds3

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

2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione (PubChem CID 138040672) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione
PubChem CID138040672
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione
SMILESCOc1ccc(Cn2[nH]c(=O)ccc2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-17-10-4-2-9(3-5-10)8-14-12(16)7-6-11(15)13-14/h2-7H,8H2,1H3,(H,13,15)
InChIKeyKACKFVWZCXHHQM-UHFFFAOYSA-N
XLogP0.59
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((4-methoxyphenyl)methyl)acetamide
CID 37050
2-ethyl-N-(4-methoxybenzyl)butanamide
CID 882141
Mls000757183
CID 346045
3-(4-methoxyphenyl)-1H-pyrazol-5-ol
CID 815408
Cinnamic acid, p-methoxy-, hydrazide
CID 5882350
(E)-4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid
CID 5702914
N-[(4-methoxyphenyl)methyl]benzamide
CID 3959383
N-ethyl-4-methoxybenzamide
CID 81897
1-((4-Methoxyphenyl)methyl)-1H-pyrrole-2,5-dione
CID 2737837
(E)-N-benzyl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
CID 729017
5-methoxy-1-(4-methoxybenzyl)-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 23724295
(Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid
CID 2146276

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione (CID 138040672) is 2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione is COc1ccc(Cn2[nH]c(=O)ccc2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione?
The InChIKey is KACKFVWZCXHHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-17-10-4-2-9(3-5-10)8-14-12(16)7-6-11(15)13-14/h2-7H,8H2,1H3,(H,13,15).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione?
2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione has a molecular weight of 232.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 138040672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).