5-deuterio-1H-indazole

C7H6N2 — CID 157292039

IUPAC5-deuterio-1H-indazole
SMILES[2H]c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)/i1D
InChIKeyBAXOFTOLAUCFNW-MICDWDOJSA-N
MW119.15 g/mol
LogP1.56
Rot. Bonds

About 5-deuterio-1H-indazole

5-deuterio-1H-indazole (PubChem CID 157292039) has the molecular formula C7H6N2 and a molecular weight of 119.15 g/mol. Its IUPAC name is 5-deuterio-1H-indazole.

Molecular Properties

Compound Name5-deuterio-1H-indazole
PubChem CID157292039
Molecular FormulaC7H6N2
Molecular Weight119.15 g/mol
Exact Mass119.06
IUPAC Name5-deuterio-1H-indazole
SMILES[2H]c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)/i1D
InChIKeyBAXOFTOLAUCFNW-MICDWDOJSA-N
XLogP1.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.15
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-indazole;ruthenium(3+)
CID 158942897
1H-indazole;hydrate;hydrochloride
CID 140981891
sodium;bis(1H-indazole);ruthenium(3+);tetrachloride
CID 10481153
CID 142869104
CID 142869104
1H-indazole;thiocarbonyl dichloride
CID 131733696
sodium;bis(1H-indazole);tetrachlororuthenium(1-)
CID 25134754
carbonyl dichloride;1H-indazole
CID 158934789
2H-benzotriazole;1H-indazole
CID 67829354
1H-indazole;methylsulfinylmethane;osmium;tetrachloride
CID 25015525
2,1,3-benzoxadiazole;1H-indazole
CID 157326942
1H-indazole;quinoline
CID 67837536
1-benzofuran;1H-indazole
CID 121363040

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-1H-indazole?
The IUPAC name of 5-deuterio-1H-indazole (CID 157292039) is 5-deuterio-1H-indazole.
What is the SMILES notation for 5-deuterio-1H-indazole?
The canonical SMILES for 5-deuterio-1H-indazole is [2H]c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-deuterio-1H-indazole?
The InChIKey is BAXOFTOLAUCFNW-MICDWDOJSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)/i1D.
What are the key properties of 5-deuterio-1H-indazole?
5-deuterio-1H-indazole has a molecular weight of 119.15 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-1H-indazole is sourced from PubChem (CID 157292039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).