5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one

C8H12N2O — CID 154598825

IUPAC5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one
SMILES[2H]C([2H])([2H])n1ncc(C(C)C)cc1=O
InChIInChI=1S/C8H12N2O/c1-6(2)7-4-8(11)10(3)9-5-7/h4-6H,1-3H3/i3D3
InChIKeyPZAICBPBNPMVNV-HPRDVNIFSA-N
MW155.22 g/mol
LogP0.90
Rot. Bonds2

About 5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one

5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one (PubChem CID 154598825) has the molecular formula C8H12N2O and a molecular weight of 155.22 g/mol. Its IUPAC name is 5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one
PubChem CID154598825
Molecular FormulaC8H12N2O
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one
SMILES[2H]C([2H])([2H])n1ncc(C(C)C)cc1=O
InChIInChI=1S/C8H12N2O/c1-6(2)7-4-8(11)10(3)9-5-7/h4-6H,1-3H3/i3D3
InChIKeyPZAICBPBNPMVNV-HPRDVNIFSA-N
XLogP0.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 44434571
2,5-Dimethyl-2,3-dihydropyridazin-3-one
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4-Fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
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6-Fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172614571
5-Tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one
CID 176827802
2-Methyl-5-propan-2-ylpyridazin-3-one
CID 12864814
5-Isopropylpyridazin-3(2H)-one
CID 19915065
4-Chloro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 20712566
5-Tert-butyl-2-methylpyridazin-3-one
CID 59549204
5-acetyl-2-methylpyridazin-3(2H)-one
CID 71418080
2-methyl-5-vinylpyridazin-3(2H)-one
CID 71418081
2-Ethyl-4-propan-2-ylpyridazin-3-one
CID 117860200

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one?
The IUPAC name of 5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one (CID 154598825) is 5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one.
What is the SMILES notation for 5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one?
The canonical SMILES for 5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one is [2H]C([2H])([2H])n1ncc(C(C)C)cc1=O.
What is the InChIKey of 5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one?
The InChIKey is PZAICBPBNPMVNV-HPRDVNIFSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)7-4-8(11)10(3)9-5-7/h4-6H,1-3H3/i3D3.
What are the key properties of 5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one?
5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one has a molecular weight of 155.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one is sourced from PubChem (CID 154598825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).