2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one

C7H10N2O — CID 161446015

IUPAC2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one
SMILES[2H]C([2H])([2H])C([2H])(n1ncccc1=O)C([2H])([2H])[2H]
InChIInChI=1S/C7H10N2O/c1-6(2)9-7(10)4-3-5-8-9/h3-6H,1-2H3/i1D3,2D3,6D
InChIKeyVZWZDYSMVHQTHD-NWOXSKRJSA-N
MW145.21 g/mol
LogP0.82
Rot. Bonds3

About 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one

2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one (PubChem CID 161446015) has the molecular formula C7H10N2O and a molecular weight of 145.21 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one
PubChem CID161446015
Molecular FormulaC7H10N2O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one
SMILES[2H]C([2H])([2H])C([2H])(n1ncccc1=O)C([2H])([2H])[2H]
InChIInChI=1S/C7H10N2O/c1-6(2)9-7(10)4-3-5-8-9/h3-6H,1-2H3/i1D3,2D3,6D
InChIKeyVZWZDYSMVHQTHD-NWOXSKRJSA-N
XLogP0.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one (CID 161446015) is 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one is [2H]C([2H])([2H])C([2H])(n1ncccc1=O)C([2H])([2H])[2H].
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one?
The InChIKey is VZWZDYSMVHQTHD-NWOXSKRJSA-N. The full InChI is InChI=1S/C7H10N2O/c1-6(2)9-7(10)4-3-5-8-9/h3-6H,1-2H3/i1D3,2D3,6D.
What are the key properties of 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one?
2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one has a molecular weight of 145.21 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridazin-3-one is sourced from PubChem (CID 161446015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).