2-(trideuteriomethyl)pyridazin-3-one

C5H6N2O — CID 142526014

IUPAC2-(trideuteriomethyl)pyridazin-3-one
SMILES[2H]C([2H])([2H])n1ncccc1=O
InChIInChI=1S/C5H6N2O/c1-7-5(8)3-2-4-6-7/h2-4H,1H3/i1D3
InChIKeyTYJMXMFZUFPWIK-FIBGUPNXSA-N
MW113.13 g/mol
LogP-0.22
Rot. Bonds1

About 2-(trideuteriomethyl)pyridazin-3-one

2-(trideuteriomethyl)pyridazin-3-one (PubChem CID 142526014) has the molecular formula C5H6N2O and a molecular weight of 113.13 g/mol. Its IUPAC name is 2-(trideuteriomethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(trideuteriomethyl)pyridazin-3-one
PubChem CID142526014
Molecular FormulaC5H6N2O
Molecular Weight113.13 g/mol
Exact Mass113.07
IUPAC Name2-(trideuteriomethyl)pyridazin-3-one
SMILES[2H]C([2H])([2H])n1ncccc1=O
InChIInChI=1S/C5H6N2O/c1-7-5(8)3-2-4-6-7/h2-4H,1H3/i1D3
InChIKeyTYJMXMFZUFPWIK-FIBGUPNXSA-N
XLogP-0.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trideuteriomethyl)pyridazin-3-one?
The IUPAC name of 2-(trideuteriomethyl)pyridazin-3-one (CID 142526014) is 2-(trideuteriomethyl)pyridazin-3-one.
What is the SMILES notation for 2-(trideuteriomethyl)pyridazin-3-one?
The canonical SMILES for 2-(trideuteriomethyl)pyridazin-3-one is [2H]C([2H])([2H])n1ncccc1=O.
What is the InChIKey of 2-(trideuteriomethyl)pyridazin-3-one?
The InChIKey is TYJMXMFZUFPWIK-FIBGUPNXSA-N. The full InChI is InChI=1S/C5H6N2O/c1-7-5(8)3-2-4-6-7/h2-4H,1H3/i1D3.
What are the key properties of 2-(trideuteriomethyl)pyridazin-3-one?
2-(trideuteriomethyl)pyridazin-3-one has a molecular weight of 113.13 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trideuteriomethyl)pyridazin-3-one is sourced from PubChem (CID 142526014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).