4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one

C12H18N2O — CID 157041620

IUPAC4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one
SMILESCn1nc(C2CC2)cc(C(C)(C)C)c1=O
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-7-10(8-5-6-8)13-14(4)11(9)15/h7-8H,5-6H2,1-4H3
InChIKeyWNPDYHVHJGYFJT-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.96
Rot. Bonds1

About 4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one

4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one (PubChem CID 157041620) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one
PubChem CID157041620
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one
SMILESCn1nc(C2CC2)cc(C(C)(C)C)c1=O
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-7-10(8-5-6-8)13-14(4)11(9)15/h7-8H,5-6H2,1-4H3
InChIKeyWNPDYHVHJGYFJT-UHFFFAOYSA-N
XLogP1.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one?
The IUPAC name of 4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one (CID 157041620) is 4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one.
What is the SMILES notation for 4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one?
The canonical SMILES for 4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one is Cn1nc(C2CC2)cc(C(C)(C)C)c1=O.
What is the InChIKey of 4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one?
The InChIKey is WNPDYHVHJGYFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)9-7-10(8-5-6-8)13-14(4)11(9)15/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one?
4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one has a molecular weight of 206.29 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one is sourced from PubChem (CID 157041620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).