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

C10H17N3O2 — CID 105061642

IUPAC6-methoxy-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
SMILESCOc1ccc(=O)n(CCNC(C)C)n1
InChIInChI=1S/C10H17N3O2/c1-8(2)11-6-7-13-10(14)5-4-9(12-13)15-3/h4-5,8,11H,6-7H2,1-3H3
InChIKeyRUQLHILGQOXYGH-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.25
Rot. Bonds5

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

6-methoxy-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one (PubChem CID 105061642) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-methoxy-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
PubChem CID105061642
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name6-methoxy-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
SMILESCOc1ccc(=O)n(CCNC(C)C)n1
InChIInChI=1S/C10H17N3O2/c1-8(2)11-6-7-13-10(14)5-4-9(12-13)15-3/h4-5,8,11H,6-7H2,1-3H3
InChIKeyRUQLHILGQOXYGH-UHFFFAOYSA-N
XLogP0.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.25
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-(propan-2-ylamino)ethyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one (CID 105061642) is 6-methoxy-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one is COc1ccc(=O)n(CCNC(C)C)n1.
What is the InChIKey of 6-methoxy-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one?
The InChIKey is RUQLHILGQOXYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)11-6-7-13-10(14)5-4-9(12-13)15-3/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of 6-methoxy-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one?
6-methoxy-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 105061642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).