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

C12H21N3O — CID 106548554

IUPAC5-methyl-2-[5-(methylamino)hexyl]pyridazin-3-one
SMILESCNC(C)CCCCn1ncc(C)cc1=O
InChIInChI=1S/C12H21N3O/c1-10-8-12(16)15(14-9-10)7-5-4-6-11(2)13-3/h8-9,11,13H,4-7H2,1-3H3
InChIKeyDQVFCMUOEXJMCI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.33
Rot. Bonds6

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

5-methyl-2-[5-(methylamino)hexyl]pyridazin-3-one (PubChem CID 106548554) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-methyl-2-[5-(methylamino)hexyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[5-(methylamino)hexyl]pyridazin-3-one
PubChem CID106548554
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-methyl-2-[5-(methylamino)hexyl]pyridazin-3-one
SMILESCNC(C)CCCCn1ncc(C)cc1=O
InChIInChI=1S/C12H21N3O/c1-10-8-12(16)15(14-9-10)7-5-4-6-11(2)13-3/h8-9,11,13H,4-7H2,1-3H3
InChIKeyDQVFCMUOEXJMCI-UHFFFAOYSA-N
XLogP1.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-N-propan-2-yl-1H-pyridazine-4-carboxamide
CID 170237311
2-[2-(Heptan-2-ylamino)ethyl]pyridazin-3-one
CID 55126826
2-[2-(5-Methylhexan-2-ylamino)ethyl]pyridazin-3-one
CID 62848568
2-[3-(Propylamino)butyl]pyridazin-3-one
CID 62848727
2-[2-(Hexylamino)ethyl]pyridazin-3-one
CID 62848749
2-[4-(Propan-2-ylamino)butyl]pyridazin-3-one
CID 62849625
2-[4-(Tert-butylamino)butyl]pyridazin-3-one
CID 62849627
2-[2-(Pentan-2-ylamino)ethyl]pyridazin-3-one
CID 62849803
2-[2-(Propylamino)pentyl]pyridazin-3-one
CID 62849954
2-[2-(Ethylamino)pentyl]pyridazin-3-one
CID 62849955
2-[2-(Methylamino)pentyl]pyridazin-3-one
CID 62849956
2-[3-(Ethylamino)butyl]pyridazin-3-one
CID 62850667

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[5-(methylamino)hexyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[5-(methylamino)hexyl]pyridazin-3-one (CID 106548554) is 5-methyl-2-[5-(methylamino)hexyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[5-(methylamino)hexyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[5-(methylamino)hexyl]pyridazin-3-one is CNC(C)CCCCn1ncc(C)cc1=O.
What is the InChIKey of 5-methyl-2-[5-(methylamino)hexyl]pyridazin-3-one?
The InChIKey is DQVFCMUOEXJMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-8-12(16)15(14-9-10)7-5-4-6-11(2)13-3/h8-9,11,13H,4-7H2,1-3H3.
What are the key properties of 5-methyl-2-[5-(methylamino)hexyl]pyridazin-3-one?
5-methyl-2-[5-(methylamino)hexyl]pyridazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[5-(methylamino)hexyl]pyridazin-3-one is sourced from PubChem (CID 106548554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).