2-butan-2-ylpyridazin-3-one

C8H12N2O — CID 66921964

IUPAC2-butan-2-ylpyridazin-3-one
SMILESCCC(C)n1ncccc1=O
InChIInChI=1S/C8H12N2O/c1-3-7(2)10-8(11)5-4-6-9-10/h4-7H,3H2,1-2H3
InChIKeyBQDDWJMMFXALCM-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.21
Rot. Bonds2

About 2-butan-2-ylpyridazin-3-one

2-butan-2-ylpyridazin-3-one (PubChem CID 66921964) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-butan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-butan-2-ylpyridazin-3-one
PubChem CID66921964
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-butan-2-ylpyridazin-3-one
SMILESCCC(C)n1ncccc1=O
InChIInChI=1S/C8H12N2O/c1-3-7(2)10-8(11)5-4-6-9-10/h4-7H,3H2,1-2H3
InChIKeyBQDDWJMMFXALCM-UHFFFAOYSA-N
XLogP1.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylpyridazin-3-one?
The IUPAC name of 2-butan-2-ylpyridazin-3-one (CID 66921964) is 2-butan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-butan-2-ylpyridazin-3-one?
The canonical SMILES for 2-butan-2-ylpyridazin-3-one is CCC(C)n1ncccc1=O.
What is the InChIKey of 2-butan-2-ylpyridazin-3-one?
The InChIKey is BQDDWJMMFXALCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-7(2)10-8(11)5-4-6-9-10/h4-7H,3H2,1-2H3.
What are the key properties of 2-butan-2-ylpyridazin-3-one?
2-butan-2-ylpyridazin-3-one has a molecular weight of 152.20 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylpyridazin-3-one is sourced from PubChem (CID 66921964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).