6-tert-butyl-2-cyclopropylpyridazin-3-one

C11H16N2O — CID 126857322

IUPAC6-tert-butyl-2-cyclopropylpyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(C2CC2)n1
InChIInChI=1S/C11H16N2O/c1-11(2,3)9-6-7-10(14)13(12-9)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeyMNRZZDLVFNZEAD-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.88
Rot. Bonds1

About 6-tert-butyl-2-cyclopropylpyridazin-3-one

6-tert-butyl-2-cyclopropylpyridazin-3-one (PubChem CID 126857322) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-tert-butyl-2-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-cyclopropylpyridazin-3-one
PubChem CID126857322
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name6-tert-butyl-2-cyclopropylpyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(C2CC2)n1
InChIInChI=1S/C11H16N2O/c1-11(2,3)9-6-7-10(14)13(12-9)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeyMNRZZDLVFNZEAD-UHFFFAOYSA-N
XLogP1.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-cyclopropylpyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-cyclopropylpyridazin-3-one (CID 126857322) is 6-tert-butyl-2-cyclopropylpyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-cyclopropylpyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-cyclopropylpyridazin-3-one is CC(C)(C)c1ccc(=O)n(C2CC2)n1.
What is the InChIKey of 6-tert-butyl-2-cyclopropylpyridazin-3-one?
The InChIKey is MNRZZDLVFNZEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2,3)9-6-7-10(14)13(12-9)8-4-5-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 6-tert-butyl-2-cyclopropylpyridazin-3-one?
6-tert-butyl-2-cyclopropylpyridazin-3-one has a molecular weight of 192.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-cyclopropylpyridazin-3-one is sourced from PubChem (CID 126857322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).