8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

C11H18N4O — CID 59751912

IUPAC8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCCN(C)Cc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C11H18N4O/c1-3-15(2)7-9-10-8(5-4-6-12-10)11(16)14-13-9/h12H,3-7H2,1-2H3,(H,14,16)
InChIKeyRKIFWMICSMYURB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.58
Rot. Bonds3

About 8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 59751912) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID59751912
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCCN(C)Cc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C11H18N4O/c1-3-15(2)7-9-10-8(5-4-6-12-10)11(16)14-13-9/h12H,3-7H2,1-2H3,(H,14,16)
InChIKeyRKIFWMICSMYURB-UHFFFAOYSA-N
XLogP0.58
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 59751912) is 8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is CCN(C)Cc1n[nH]c(=O)c2c1NCCC2.
What is the InChIKey of 8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is RKIFWMICSMYURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-15(2)7-9-10-8(5-4-6-12-10)11(16)14-13-9/h12H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 222.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[ethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 59751912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).