2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one

C9H15N3O2 — CID 103218485

IUPAC2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCCOC)c(=O)c1
InChIInChI=1S/C9H15N3O2/c1-10-8-6-9(13)12(11-7-8)4-3-5-14-2/h6-7,10H,3-5H2,1-2H3
InChIKeyOMAPCJJJXDERNI-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.32
Rot. Bonds5

About 2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one

2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one (PubChem CID 103218485) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one
PubChem CID103218485
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCCOC)c(=O)c1
InChIInChI=1S/C9H15N3O2/c1-10-8-6-9(13)12(11-7-8)4-3-5-14-2/h6-7,10H,3-5H2,1-2H3
InChIKeyOMAPCJJJXDERNI-UHFFFAOYSA-N
XLogP0.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(Methylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103218742
5-(Ethylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219178
5-(Ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103219215
5-(Propan-2-ylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219562
5-(Cyclopropylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219987
5-(Propylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103220334
5-(Propylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220359
5-(Cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103220694
5-(2-Aminoethylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103221265
5-(2-Methylpropylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103221686
5-[2-Aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103223496
5-[2-(Methylamino)ethylamino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103223708

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one (CID 103218485) is 2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one is CNc1cnn(CCCOC)c(=O)c1.
What is the InChIKey of 2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one?
The InChIKey is OMAPCJJJXDERNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-10-8-6-9(13)12(11-7-8)4-3-5-14-2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one?
2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one has a molecular weight of 197.24 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).