2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde

C6H6N2O3 — CID 62019534

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde
SMILESO=CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C6H6N2O3/c9-4-3-8-6(11)2-1-5(10)7-8/h1-2,4H,3H2,(H,7,10)
InChIKeyLDBCWKCYPBXBJP-UHFFFAOYSA-N
MW154.12 g/mol
LogP-1.26
Rot. Bonds2

About 2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde

2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde (PubChem CID 62019534) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde
PubChem CID62019534
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde
SMILESO=CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C6H6N2O3/c9-4-3-8-6(11)2-1-5(10)7-8/h1-2,4H,3H2,(H,7,10)
InChIKeyLDBCWKCYPBXBJP-UHFFFAOYSA-N
XLogP-1.26
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-Formylethyl)-2,3-dihydro-6-hydroxy-3-oxopyridazine
CID 366143
1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 3595132
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
2-[(2,5-Dioxopyrrol-1-yl)amino]acetaldehyde
CID 175246289
(E)-4-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enal
CID 12292663
2-(3,6-dioxo-1H-pyridazin-2-yl)acetonitrile
CID 24706856

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde (CID 62019534) is 2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde is O=CCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde?
The InChIKey is LDBCWKCYPBXBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c9-4-3-8-6(11)2-1-5(10)7-8/h1-2,4H,3H2,(H,7,10).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde?
2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde has a molecular weight of 154.12 g/mol, XLogP of -1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)acetaldehyde is sourced from PubChem (CID 62019534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).