6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one

C8H13N3O — CID 62923365

IUPAC6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one
SMILESCNCCn1nc(C)ccc1=O
InChIInChI=1S/C8H13N3O/c1-7-3-4-8(12)11(10-7)6-5-9-2/h3-4,9H,5-6H2,1-2H3
InChIKeyQHFLMFYHJXIJAG-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.23
Rot. Bonds3

About 6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one

6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one (PubChem CID 62923365) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one
PubChem CID62923365
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one
SMILESCNCCn1nc(C)ccc1=O
InChIInChI=1S/C8H13N3O/c1-7-3-4-8(12)11(10-7)6-5-9-2/h3-4,9H,5-6H2,1-2H3
InChIKeyQHFLMFYHJXIJAG-UHFFFAOYSA-N
XLogP-0.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one (CID 62923365) is 6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one is CNCCn1nc(C)ccc1=O.
What is the InChIKey of 6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one?
The InChIKey is QHFLMFYHJXIJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7-3-4-8(12)11(10-7)6-5-9-2/h3-4,9H,5-6H2,1-2H3.
What are the key properties of 6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one?
6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one has a molecular weight of 167.21 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62923365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).