2-tert-butyl-5-hydroxypyridazin-3-one

C8H12N2O2 — CID 54702697

IUPAC2-tert-butyl-5-hydroxypyridazin-3-one
SMILESCC(C)(C)n1ncc(O)cc1=O
InChIInChI=1S/C8H12N2O2/c1-8(2,3)10-7(12)4-6(11)5-9-10/h4-5,11H,1-3H3
InChIKeyAIVTXBTVPFNYIW-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.70
Rot. Bonds

About 2-tert-butyl-5-hydroxypyridazin-3-one

2-tert-butyl-5-hydroxypyridazin-3-one (PubChem CID 54702697) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-tert-butyl-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-5-hydroxypyridazin-3-one
PubChem CID54702697
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-tert-butyl-5-hydroxypyridazin-3-one
SMILESCC(C)(C)n1ncc(O)cc1=O
InChIInChI=1S/C8H12N2O2/c1-8(2,3)10-7(12)4-6(11)5-9-10/h4-5,11H,1-3H3
InChIKeyAIVTXBTVPFNYIW-UHFFFAOYSA-N
XLogP0.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-hydroxypyridazin-3-one?
The IUPAC name of 2-tert-butyl-5-hydroxypyridazin-3-one (CID 54702697) is 2-tert-butyl-5-hydroxypyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-5-hydroxypyridazin-3-one?
The canonical SMILES for 2-tert-butyl-5-hydroxypyridazin-3-one is CC(C)(C)n1ncc(O)cc1=O.
What is the InChIKey of 2-tert-butyl-5-hydroxypyridazin-3-one?
The InChIKey is AIVTXBTVPFNYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2,3)10-7(12)4-6(11)5-9-10/h4-5,11H,1-3H3.
What are the key properties of 2-tert-butyl-5-hydroxypyridazin-3-one?
2-tert-butyl-5-hydroxypyridazin-3-one has a molecular weight of 168.20 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-hydroxypyridazin-3-one is sourced from PubChem (CID 54702697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).