2-cyclopropyl-6-propan-2-ylpyridazin-3-one

C10H14N2O — CID 168723844

IUPAC2-cyclopropyl-6-propan-2-ylpyridazin-3-one
SMILESCC(C)c1ccc(=O)n(C2CC2)n1
InChIInChI=1S/C10H14N2O/c1-7(2)9-5-6-10(13)12(11-9)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyBOKYJFXLQVZYID-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.70
Rot. Bonds2

About 2-cyclopropyl-6-propan-2-ylpyridazin-3-one

2-cyclopropyl-6-propan-2-ylpyridazin-3-one (PubChem CID 168723844) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-cyclopropyl-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-cyclopropyl-6-propan-2-ylpyridazin-3-one
PubChem CID168723844
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-cyclopropyl-6-propan-2-ylpyridazin-3-one
SMILESCC(C)c1ccc(=O)n(C2CC2)n1
InChIInChI=1S/C10H14N2O/c1-7(2)9-5-6-10(13)12(11-9)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyBOKYJFXLQVZYID-UHFFFAOYSA-N
XLogP1.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 2-cyclopropyl-6-propan-2-ylpyridazin-3-one (CID 168723844) is 2-cyclopropyl-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-cyclopropyl-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2-cyclopropyl-6-propan-2-ylpyridazin-3-one is CC(C)c1ccc(=O)n(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-propan-2-ylpyridazin-3-one?
The InChIKey is BOKYJFXLQVZYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(2)9-5-6-10(13)12(11-9)8-3-4-8/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-6-propan-2-ylpyridazin-3-one?
2-cyclopropyl-6-propan-2-ylpyridazin-3-one has a molecular weight of 178.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 168723844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).