3-propan-2-yl-1H-pyridazin-6-one

C7H10N2O — CID 23028147

IUPAC3-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1ccc(=O)[nH]n1
InChIInChI=1S/C7H10N2O/c1-5(2)6-3-4-7(10)9-8-6/h3-5H,1-2H3,(H,9,10)
InChIKeyVSGPZRODNMXSOC-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.89
Rot. Bonds1

About 3-propan-2-yl-1H-pyridazin-6-one

3-propan-2-yl-1H-pyridazin-6-one (PubChem CID 23028147) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-propan-2-yl-1H-pyridazin-6-one
PubChem CID23028147
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1ccc(=O)[nH]n1
InChIInChI=1S/C7H10N2O/c1-5(2)6-3-4-7(10)9-8-6/h3-5H,1-2H3,(H,9,10)
InChIKeyVSGPZRODNMXSOC-UHFFFAOYSA-N
XLogP0.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of 3-propan-2-yl-1H-pyridazin-6-one (CID 23028147) is 3-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-propan-2-yl-1H-pyridazin-6-one is CC(C)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is VSGPZRODNMXSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5(2)6-3-4-7(10)9-8-6/h3-5H,1-2H3,(H,9,10).
What are the key properties of 3-propan-2-yl-1H-pyridazin-6-one?
3-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 138.17 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 23028147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).