4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one

C12H22N2O — CID 90192644

IUPAC4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)(C)C1C=NNC(=O)C1C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-11(2,3)8-7-13-14-10(15)9(8)12(4,5)6/h7-9H,1-6H3,(H,14,15)
InChIKeyLAJAFQKPTNESAM-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.43
Rot. Bonds

About 4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one

4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 90192644) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID90192644
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)(C)C1C=NNC(=O)C1C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-11(2,3)8-7-13-14-10(15)9(8)12(4,5)6/h7-9H,1-6H3,(H,14,15)
InChIKeyLAJAFQKPTNESAM-UHFFFAOYSA-N
XLogP2.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-4,5-dihydro-1H-pyridazin-6-one
CID 90967380
5-tert-butyl-6-methyl-1,4,5,6-tetrahydrodiazepin-7-one
CID 123685178
5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 147798893
3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one
CID 131031717
3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one
CID 157373442
4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one
CID 176748808
5,6-ditert-butyl-1,3-oxazinane-2,4-dione
CID 167328506
7,8-ditert-butylbicyclo[2.2.2]octa-1,3,5-triene
CID 148801538
4-tert-butyl-3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one
CID 67712107
5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 138472162
3,4-ditert-butyl-3,4-dihydrochromen-2-one
CID 131978924
10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one
CID 58765114

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one (CID 90192644) is 4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one is CC(C)(C)C1C=NNC(=O)C1C(C)(C)C.
What is the InChIKey of 4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is LAJAFQKPTNESAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2,3)8-7-13-14-10(15)9(8)12(4,5)6/h7-9H,1-6H3,(H,14,15).
What are the key properties of 4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one?
4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 210.32 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 90192644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).