4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide

C6H5Cl2N3O — CID 90134967

IUPAC4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Cl
InChIInChI=1S/C6H5Cl2N3O/c1-9-6(12)5-3(7)2-4(8)10-11-5/h2H,1H3,(H,9,12)/i1D3
InChIKeyKVLSUFLTCCJFAG-FIBGUPNXSA-N
MW209.05 g/mol
LogP1.14
Rot. Bonds2

About 4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide

4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 90134967) has the molecular formula C6H5Cl2N3O and a molecular weight of 209.05 g/mol. Its IUPAC name is 4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID90134967
Molecular FormulaC6H5Cl2N3O
Molecular Weight209.05 g/mol
Exact Mass208.00
IUPAC Name4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Cl
InChIInChI=1S/C6H5Cl2N3O/c1-9-6(12)5-3(7)2-4(8)10-11-5/h2H,1H3,(H,9,12)/i1D3
InChIKeyKVLSUFLTCCJFAG-FIBGUPNXSA-N
XLogP1.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 90134967) is 4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Cl.
What is the InChIKey of 4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is KVLSUFLTCCJFAG-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H5Cl2N3O/c1-9-6(12)5-3(7)2-4(8)10-11-5/h2H,1H3,(H,9,12)/i1D3.
What are the key properties of 4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide?
4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 209.05 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 90134967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).