methanol;1-methyl-6-oxopyridazine-3-carbaldehyde

C7H10N2O3 — CID 155699996

IUPACmethanol;1-methyl-6-oxopyridazine-3-carbaldehyde
SMILESCO.Cn1nc(C=O)ccc1=O
InChIInChI=1S/C6H6N2O2.CH4O/c1-8-6(10)3-2-5(4-9)7-8;1-2/h2-4H,1H3;2H,1H3
InChIKeyNGZLRUWDSUFNOU-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.80
Rot. Bonds1

About methanol;1-methyl-6-oxopyridazine-3-carbaldehyde

methanol;1-methyl-6-oxopyridazine-3-carbaldehyde (PubChem CID 155699996) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is methanol;1-methyl-6-oxopyridazine-3-carbaldehyde.

Molecular Properties

Compound Namemethanol;1-methyl-6-oxopyridazine-3-carbaldehyde
PubChem CID155699996
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namemethanol;1-methyl-6-oxopyridazine-3-carbaldehyde
SMILESCO.Cn1nc(C=O)ccc1=O
InChIInChI=1S/C6H6N2O2.CH4O/c1-8-6(10)3-2-5(4-9)7-8;1-2/h2-4H,1H3;2H,1H3
InChIKeyNGZLRUWDSUFNOU-UHFFFAOYSA-N
XLogP-0.80
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;1-methyl-6-oxopyridazine-3-carbaldehyde?
The IUPAC name of methanol;1-methyl-6-oxopyridazine-3-carbaldehyde (CID 155699996) is methanol;1-methyl-6-oxopyridazine-3-carbaldehyde.
What is the SMILES notation for methanol;1-methyl-6-oxopyridazine-3-carbaldehyde?
The canonical SMILES for methanol;1-methyl-6-oxopyridazine-3-carbaldehyde is CO.Cn1nc(C=O)ccc1=O.
What is the InChIKey of methanol;1-methyl-6-oxopyridazine-3-carbaldehyde?
The InChIKey is NGZLRUWDSUFNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.CH4O/c1-8-6(10)3-2-5(4-9)7-8;1-2/h2-4H,1H3;2H,1H3.
What are the key properties of methanol;1-methyl-6-oxopyridazine-3-carbaldehyde?
methanol;1-methyl-6-oxopyridazine-3-carbaldehyde has a molecular weight of 170.17 g/mol, XLogP of -0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-methyl-6-oxopyridazine-3-carbaldehyde is sourced from PubChem (CID 155699996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).