5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one

C9H15N3O — CID 106548534

IUPAC5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one
SMILESCNC(C)Cn1ncc(C)cc1=O
InChIInChI=1S/C9H15N3O/c1-7-4-9(13)12(11-5-7)6-8(2)10-3/h4-5,8,10H,6H2,1-3H3
InChIKeyTVXGMYQOGBPUBU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.16
Rot. Bonds3

About 5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one

5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one (PubChem CID 106548534) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one
PubChem CID106548534
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one
SMILESCNC(C)Cn1ncc(C)cc1=O
InChIInChI=1S/C9H15N3O/c1-7-4-9(13)12(11-5-7)6-8(2)10-3/h4-5,8,10H,6H2,1-3H3
InChIKeyTVXGMYQOGBPUBU-UHFFFAOYSA-N
XLogP0.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one (CID 106548534) is 5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one is CNC(C)Cn1ncc(C)cc1=O.
What is the InChIKey of 5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one?
The InChIKey is TVXGMYQOGBPUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-4-9(13)12(11-5-7)6-8(2)10-3/h4-5,8,10H,6H2,1-3H3.
What are the key properties of 5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one?
5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(methylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 106548534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).