2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde

C10H15N3O2 — CID 114396263

IUPAC2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde
SMILESCCCN(C)c1cnn(CC=O)c(=O)c1
InChIInChI=1S/C10H15N3O2/c1-3-4-12(2)9-7-10(15)13(5-6-14)11-8-9/h6-8H,3-5H2,1-2H3
InChIKeyKSPYAMGIISSRET-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.29
Rot. Bonds5

About 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde

2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde (PubChem CID 114396263) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde
PubChem CID114396263
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde
SMILESCCCN(C)c1cnn(CC=O)c(=O)c1
InChIInChI=1S/C10H15N3O2/c1-3-4-12(2)9-7-10(15)13(5-6-14)11-8-9/h6-8H,3-5H2,1-2H3
InChIKeyKSPYAMGIISSRET-UHFFFAOYSA-N
XLogP0.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[Methyl-(2-methyl-3-oxopyridazin-4-yl)amino]acetaldehyde
CID 144132333
5-(Dimethylamino)-2-ethylpyridazin-3-one
CID 167137562
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 56917737
2-Methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde
CID 101074294
5-Amino-2-(3-methoxypropyl)pyridazin-3-one
CID 103218207
5-(Dimethylamino)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
CID 107507886
5-[Ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
CID 107507890
2-(3-Methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 107507892
5-(Diethylamino)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
CID 113967954
2-(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396006
3-(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal
CID 114396007
2-(2-Oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396032

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde?
The IUPAC name of 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde (CID 114396263) is 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde is CCCN(C)c1cnn(CC=O)c(=O)c1.
What is the InChIKey of 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde?
The InChIKey is KSPYAMGIISSRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-4-12(2)9-7-10(15)13(5-6-14)11-8-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde?
2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde has a molecular weight of 209.25 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetaldehyde is sourced from PubChem (CID 114396263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).