3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal

C11H17N3O2 — CID 114396264

IUPAC3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal
SMILESCCCN(C)c1cnn(CCC=O)c(=O)c1
InChIInChI=1S/C11H17N3O2/c1-3-5-13(2)10-8-11(16)14(12-9-10)6-4-7-15/h7-9H,3-6H2,1-2H3
InChIKeyCMKUNOILSHRHAO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.68
Rot. Bonds6

About 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal

3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal (PubChem CID 114396264) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal.

Molecular Properties

Compound Name3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal
PubChem CID114396264
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal
SMILESCCCN(C)c1cnn(CCC=O)c(=O)c1
InChIInChI=1S/C11H17N3O2/c1-3-5-13(2)10-8-11(16)14(12-9-10)6-4-7-15/h7-9H,3-6H2,1-2H3
InChIKeyCMKUNOILSHRHAO-UHFFFAOYSA-N
XLogP0.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.68
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-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404
tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate
CID 114394122
2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396265
2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393628
2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397148
2-(3-chloro-2-hydroxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394399
5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
CID 103223346
2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397146
2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397748
2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396977
2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114395128
2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114395180

Frequently Asked Questions

What is the IUPAC name of 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal?
The IUPAC name of 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal (CID 114396264) is 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal.
What is the SMILES notation for 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal?
The canonical SMILES for 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal is CCCN(C)c1cnn(CCC=O)c(=O)c1.
What is the InChIKey of 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal?
The InChIKey is CMKUNOILSHRHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-5-13(2)10-8-11(16)14(12-9-10)6-4-7-15/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal?
3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal has a molecular weight of 223.28 g/mol, XLogP of 0.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal is sourced from PubChem (CID 114396264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).