5-deuterio-1-(trideuteriomethyl)indazole

C8H8N2 — CID 175805089

IUPAC5-deuterio-1-(trideuteriomethyl)indazole
SMILES[2H]c1ccc2c(cnn2C([2H])([2H])[2H])c1
InChIInChI=1S/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-6H,1H3/i1D3,2D
InChIKeyCSUGQXMRKOKBFI-MZCSYVLQSA-N
MW136.19 g/mol
LogP1.57
Rot. Bonds1

About 5-deuterio-1-(trideuteriomethyl)indazole

5-deuterio-1-(trideuteriomethyl)indazole (PubChem CID 175805089) has the molecular formula C8H8N2 and a molecular weight of 136.19 g/mol. Its IUPAC name is 5-deuterio-1-(trideuteriomethyl)indazole.

Molecular Properties

Compound Name5-deuterio-1-(trideuteriomethyl)indazole
PubChem CID175805089
Molecular FormulaC8H8N2
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name5-deuterio-1-(trideuteriomethyl)indazole
SMILES[2H]c1ccc2c(cnn2C([2H])([2H])[2H])c1
InChIInChI=1S/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-6H,1H3/i1D3,2D
InChIKeyCSUGQXMRKOKBFI-MZCSYVLQSA-N
XLogP1.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-deuterio-1-(trideuteriomethyl)indazole?
The IUPAC name of 5-deuterio-1-(trideuteriomethyl)indazole (CID 175805089) is 5-deuterio-1-(trideuteriomethyl)indazole.
What is the SMILES notation for 5-deuterio-1-(trideuteriomethyl)indazole?
The canonical SMILES for 5-deuterio-1-(trideuteriomethyl)indazole is [2H]c1ccc2c(cnn2C([2H])([2H])[2H])c1.
What is the InChIKey of 5-deuterio-1-(trideuteriomethyl)indazole?
The InChIKey is CSUGQXMRKOKBFI-MZCSYVLQSA-N. The full InChI is InChI=1S/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-6H,1H3/i1D3,2D.
What are the key properties of 5-deuterio-1-(trideuteriomethyl)indazole?
5-deuterio-1-(trideuteriomethyl)indazole has a molecular weight of 136.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-1-(trideuteriomethyl)indazole is sourced from PubChem (CID 175805089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).