2-propan-2-ylpyridazin-3-one

C7H10N2O — CID 19915066

IUPAC2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncccc1=O
InChIInChI=1S/C7H10N2O/c1-6(2)9-7(10)4-3-5-8-9/h3-6H,1-2H3
InChIKeyVZWZDYSMVHQTHD-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.82
Rot. Bonds1

About 2-propan-2-ylpyridazin-3-one

2-propan-2-ylpyridazin-3-one (PubChem CID 19915066) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-propan-2-ylpyridazin-3-one
PubChem CID19915066
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncccc1=O
InChIInChI=1S/C7H10N2O/c1-6(2)9-7(10)4-3-5-8-9/h3-6H,1-2H3
InChIKeyVZWZDYSMVHQTHD-UHFFFAOYSA-N
XLogP0.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpyridazin-3-one?
The IUPAC name of 2-propan-2-ylpyridazin-3-one (CID 19915066) is 2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2-propan-2-ylpyridazin-3-one is CC(C)n1ncccc1=O.
What is the InChIKey of 2-propan-2-ylpyridazin-3-one?
The InChIKey is VZWZDYSMVHQTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-6(2)9-7(10)4-3-5-8-9/h3-6H,1-2H3.
What are the key properties of 2-propan-2-ylpyridazin-3-one?
2-propan-2-ylpyridazin-3-one has a molecular weight of 138.17 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 19915066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).