2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde

C10H13N3O3 — CID 14969898

IUPAC2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde
SMILESCn1ncc(N2CCOCC2)c(C=O)c1=O
InChIInChI=1S/C10H13N3O3/c1-12-10(15)8(7-14)9(6-11-12)13-2-4-16-5-3-13/h6-7H,2-5H2,1H3
InChIKeyFVFLSWGQNOXUEG-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.57
Rot. Bonds2

About 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde

2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde (PubChem CID 14969898) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde
PubChem CID14969898
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde
SMILESCn1ncc(N2CCOCC2)c(C=O)c1=O
InChIInChI=1S/C10H13N3O3/c1-12-10(15)8(7-14)9(6-11-12)13-2-4-16-5-3-13/h6-7H,2-5H2,1H3
InChIKeyFVFLSWGQNOXUEG-UHFFFAOYSA-N
XLogP-0.57
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde?
The IUPAC name of 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde (CID 14969898) is 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde is Cn1ncc(N2CCOCC2)c(C=O)c1=O.
What is the InChIKey of 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde?
The InChIKey is FVFLSWGQNOXUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-12-10(15)8(7-14)9(6-11-12)13-2-4-16-5-3-13/h6-7H,2-5H2,1H3.
What are the key properties of 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde?
2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde has a molecular weight of 223.23 g/mol, XLogP of -0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 14969898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).