2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one

C10H15ClN2O2 — CID 3690282

IUPAC2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one
SMILESCCOc1cnn(C(C)(C)C)c(=O)c1Cl
InChIInChI=1S/C10H15ClN2O2/c1-5-15-7-6-12-13(10(2,3)4)9(14)8(7)11/h6H,5H2,1-4H3
InChIKeyQMRGPNHBBFGADA-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.05
Rot. Bonds2

About 2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one

2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one (PubChem CID 3690282) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one
PubChem CID3690282
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one
SMILESCCOc1cnn(C(C)(C)C)c(=O)c1Cl
InChIInChI=1S/C10H15ClN2O2/c1-5-15-7-6-12-13(10(2,3)4)9(14)8(7)11/h6H,5H2,1-4H3
InChIKeyQMRGPNHBBFGADA-UHFFFAOYSA-N
XLogP2.05
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one (CID 3690282) is 2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one is CCOc1cnn(C(C)(C)C)c(=O)c1Cl.
What is the InChIKey of 2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one?
The InChIKey is QMRGPNHBBFGADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-5-15-7-6-12-13(10(2,3)4)9(14)8(7)11/h6H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one?
2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one has a molecular weight of 230.69 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one is sourced from PubChem (CID 3690282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).