2-(methoxymethyl)-1H-pyridazine-3,6-dione

C6H8N2O3 — CID 165347618

IUPAC2-(methoxymethyl)-1H-pyridazine-3,6-dione
SMILESCOCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C6H8N2O3/c1-11-4-8-6(10)3-2-5(9)7-8/h2-3H,4H2,1H3,(H,7,9)
InChIKeyZVUQLHYACYMJGV-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.86
Rot. Bonds2

About 2-(methoxymethyl)-1H-pyridazine-3,6-dione

2-(methoxymethyl)-1H-pyridazine-3,6-dione (PubChem CID 165347618) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-(methoxymethyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(methoxymethyl)-1H-pyridazine-3,6-dione
PubChem CID165347618
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-(methoxymethyl)-1H-pyridazine-3,6-dione
SMILESCOCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C6H8N2O3/c1-11-4-8-6(10)3-2-5(9)7-8/h2-3H,4H2,1H3,(H,7,9)
InChIKeyZVUQLHYACYMJGV-UHFFFAOYSA-N
XLogP-0.86
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxy-1-methylpyridazin-6(1H)-one
CID 95157
1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
1-(Hydroxymethyl)-1,2-dihydro-3,6-pyridazinedione
CID 232161
Crotonic 2,2-dimethylhydrazide
CID 21704825
Einecs 265-780-9
CID 6455141
6-hydroxy-2-isopropyl-3(2H)-pyridazinone
CID 11378616
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
N',N'-dimethylprop-2-enehydrazide
CID 22020427
N,N'-dimethylbut-2-enehydrazide
CID 54426397
2-Methyl-1,6-dihydropyridazin-3-one
CID 57672228
Dimethyl-bis(prop-2-enoylamino)azanium
CID 87552386
(E)-N,N'-dimethylbut-2-enehydrazide
CID 88655369

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(methoxymethyl)-1H-pyridazine-3,6-dione (CID 165347618) is 2-(methoxymethyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(methoxymethyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(methoxymethyl)-1H-pyridazine-3,6-dione is COCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(methoxymethyl)-1H-pyridazine-3,6-dione?
The InChIKey is ZVUQLHYACYMJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-11-4-8-6(10)3-2-5(9)7-8/h2-3H,4H2,1H3,(H,7,9).
What are the key properties of 2-(methoxymethyl)-1H-pyridazine-3,6-dione?
2-(methoxymethyl)-1H-pyridazine-3,6-dione has a molecular weight of 156.14 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 165347618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).