3-tert-butyl-1H-pyridazin-6-one

C8H12N2O — CID 2802164

IUPAC3-tert-butyl-1H-pyridazin-6-one
SMILESCC(C)(C)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H12N2O/c1-8(2,3)6-4-5-7(11)10-9-6/h4-5H,1-3H3,(H,10,11)
InChIKeyTUDXTYPISQDTPK-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.07
Rot. Bonds

About 3-tert-butyl-1H-pyridazin-6-one

3-tert-butyl-1H-pyridazin-6-one (PubChem CID 2802164) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-tert-butyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-tert-butyl-1H-pyridazin-6-one
PubChem CID2802164
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-tert-butyl-1H-pyridazin-6-one
SMILESCC(C)(C)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H12N2O/c1-8(2,3)6-4-5-7(11)10-9-6/h4-5H,1-3H3,(H,10,11)
InChIKeyTUDXTYPISQDTPK-UHFFFAOYSA-N
XLogP1.07
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1H-pyridazin-6-one?
The IUPAC name of 3-tert-butyl-1H-pyridazin-6-one (CID 2802164) is 3-tert-butyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-tert-butyl-1H-pyridazin-6-one?
The canonical SMILES for 3-tert-butyl-1H-pyridazin-6-one is CC(C)(C)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-tert-butyl-1H-pyridazin-6-one?
The InChIKey is TUDXTYPISQDTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-8(2,3)6-4-5-7(11)10-9-6/h4-5H,1-3H3,(H,10,11).
What are the key properties of 3-tert-butyl-1H-pyridazin-6-one?
3-tert-butyl-1H-pyridazin-6-one has a molecular weight of 152.20 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1H-pyridazin-6-one is sourced from PubChem (CID 2802164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).