3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine

C8H10Cl2N2 — CID 87083942

IUPAC3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine
SMILES[2H]C([2H])([2H])C(c1cc(Cl)nnc1Cl)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C8H10Cl2N2/c1-8(2,3)5-4-6(9)11-12-7(5)10/h4H,1-3H3/i1D3,2D3,3D3
InChIKeyDTUZXHRABOWYAE-GQALSZNTSA-N
MW214.14 g/mol
LogP3.08
Rot. Bonds

About 3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine

3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine (PubChem CID 87083942) has the molecular formula C8H10Cl2N2 and a molecular weight of 214.14 g/mol. Its IUPAC name is 3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine
PubChem CID87083942
Molecular FormulaC8H10Cl2N2
Molecular Weight214.14 g/mol
Exact Mass213.08
IUPAC Name3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine
SMILES[2H]C([2H])([2H])C(c1cc(Cl)nnc1Cl)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C8H10Cl2N2/c1-8(2,3)5-4-6(9)11-12-7(5)10/h4H,1-3H3/i1D3,2D3,3D3
InChIKeyDTUZXHRABOWYAE-GQALSZNTSA-N
XLogP3.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine?
The IUPAC name of 3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine (CID 87083942) is 3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine.
What is the SMILES notation for 3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine?
The canonical SMILES for 3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine is [2H]C([2H])([2H])C(c1cc(Cl)nnc1Cl)(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of 3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine?
The InChIKey is DTUZXHRABOWYAE-GQALSZNTSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-8(2,3)5-4-6(9)11-12-7(5)10/h4H,1-3H3/i1D3,2D3,3D3.
What are the key properties of 3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine?
3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine has a molecular weight of 214.14 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine is sourced from PubChem (CID 87083942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).