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

C8H13N3O2 — CID 105061672

IUPAC6-methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one
SMILESCNCCn1nc(OC)ccc1=O
InChIInChI=1S/C8H13N3O2/c1-9-5-6-11-8(12)4-3-7(10-11)13-2/h3-4,9H,5-6H2,1-2H3
InChIKeyNGGNZMNDTDCTSI-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.53
Rot. Bonds4

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

6-methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one (PubChem CID 105061672) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 6-methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one
PubChem CID105061672
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name6-methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one
SMILESCNCCn1nc(OC)ccc1=O
InChIInChI=1S/C8H13N3O2/c1-9-5-6-11-8(12)4-3-7(10-11)13-2/h3-4,9H,5-6H2,1-2H3
InChIKeyNGGNZMNDTDCTSI-UHFFFAOYSA-N
XLogP-0.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one (CID 105061672) is 6-methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one is CNCCn1nc(OC)ccc1=O.
What is the InChIKey of 6-methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one?
The InChIKey is NGGNZMNDTDCTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9-5-6-11-8(12)4-3-7(10-11)13-2/h3-4,9H,5-6H2,1-2H3.
What are the key properties of 6-methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one?
6-methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one has a molecular weight of 183.21 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 105061672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).