2-tert-butyl-5-ethoxypyridazin-3-one

C10H16N2O2 — CID 170040871

IUPAC2-tert-butyl-5-ethoxypyridazin-3-one
SMILESCCOc1cnn(C(C)(C)C)c(=O)c1
InChIInChI=1S/C10H16N2O2/c1-5-14-8-6-9(13)12(11-7-8)10(2,3)4/h6-7H,5H2,1-4H3
InChIKeyKBWGVUFCLOLYIO-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.40
Rot. Bonds2

About 2-tert-butyl-5-ethoxypyridazin-3-one

2-tert-butyl-5-ethoxypyridazin-3-one (PubChem CID 170040871) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-tert-butyl-5-ethoxypyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-5-ethoxypyridazin-3-one
PubChem CID170040871
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-tert-butyl-5-ethoxypyridazin-3-one
SMILESCCOc1cnn(C(C)(C)C)c(=O)c1
InChIInChI=1S/C10H16N2O2/c1-5-14-8-6-9(13)12(11-7-8)10(2,3)4/h6-7H,5H2,1-4H3
InChIKeyKBWGVUFCLOLYIO-UHFFFAOYSA-N
XLogP1.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethoxypyridazin-3-one?
The IUPAC name of 2-tert-butyl-5-ethoxypyridazin-3-one (CID 170040871) is 2-tert-butyl-5-ethoxypyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-5-ethoxypyridazin-3-one?
The canonical SMILES for 2-tert-butyl-5-ethoxypyridazin-3-one is CCOc1cnn(C(C)(C)C)c(=O)c1.
What is the InChIKey of 2-tert-butyl-5-ethoxypyridazin-3-one?
The InChIKey is KBWGVUFCLOLYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-14-8-6-9(13)12(11-7-8)10(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-5-ethoxypyridazin-3-one?
2-tert-butyl-5-ethoxypyridazin-3-one has a molecular weight of 196.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethoxypyridazin-3-one is sourced from PubChem (CID 170040871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).