5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one

C11H19N3O2 — CID 12550754

IUPAC5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one
SMILESCCOc1c(N(CC)CC)cnn(C)c1=O
InChIInChI=1S/C11H19N3O2/c1-5-14(6-2)9-8-12-13(4)11(15)10(9)16-7-3/h8H,5-7H2,1-4H3
InChIKeyRTJFHAGFNUATMH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.03
Rot. Bonds5

About 5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one

5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one (PubChem CID 12550754) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one
PubChem CID12550754
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one
SMILESCCOc1c(N(CC)CC)cnn(C)c1=O
InChIInChI=1S/C11H19N3O2/c1-5-14(6-2)9-8-12-13(4)11(15)10(9)16-7-3/h8H,5-7H2,1-4H3
InChIKeyRTJFHAGFNUATMH-UHFFFAOYSA-N
XLogP1.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one?
The IUPAC name of 5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one (CID 12550754) is 5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one is CCOc1c(N(CC)CC)cnn(C)c1=O.
What is the InChIKey of 5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one?
The InChIKey is RTJFHAGFNUATMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-14(6-2)9-8-12-13(4)11(15)10(9)16-7-3/h8H,5-7H2,1-4H3.
What are the key properties of 5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one?
5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-4-ethoxy-2-methylpyridazin-3-one is sourced from PubChem (CID 12550754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).