6-deuterio-1-ethylindazole

C9H10N2 — CID 175709829

IUPAC6-deuterio-1-ethylindazole
SMILES[2H]c1ccc2cnn(CC)c2c1
InChIInChI=1S/C9H10N2/c1-2-11-9-6-4-3-5-8(9)7-10-11/h3-7H,2H2,1H3/i4D
InChIKeyBKSKBIKKJLHPLR-QYKNYGDISA-N
MW147.20 g/mol
LogP2.06
Rot. Bonds1

About 6-deuterio-1-ethylindazole

6-deuterio-1-ethylindazole (PubChem CID 175709829) has the molecular formula C9H10N2 and a molecular weight of 147.20 g/mol. Its IUPAC name is 6-deuterio-1-ethylindazole.

Molecular Properties

Compound Name6-deuterio-1-ethylindazole
PubChem CID175709829
Molecular FormulaC9H10N2
Molecular Weight147.20 g/mol
Exact Mass147.09
IUPAC Name6-deuterio-1-ethylindazole
SMILES[2H]c1ccc2cnn(CC)c2c1
InChIInChI=1S/C9H10N2/c1-2-11-9-6-4-3-5-8(9)7-10-11/h3-7H,2H2,1H3/i4D
InChIKeyBKSKBIKKJLHPLR-QYKNYGDISA-N
XLogP2.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-deuterio-1-propylindazole
CID 175709834
1-ethylindazole;propane
CID 143188130
1-propylindazole
CID 18695497
1-ethyl-5-iodoindazole
CID 175216814
N-(indazol-1-ylmethyl)ethanamine
CID 57195663
5-deuterio-1-(trideuteriomethyl)indazole
CID 175805089
1-ethylindazol-7-ol
CID 84716850
1-(1-ethylindazol-5-yl)-N-methylethanamine
CID 84721771
2-ethyl-8-hydroxyphthalazin-1-one
CID 125455301
potassium (1-ethylindazol-5-yl)-trifluoroboranuide
CID 166000493
1-(4-chlorobutyl)indazole
CID 62140548
cobalt;1-ethylindazole
CID 58657391

Frequently Asked Questions

What is the IUPAC name of 6-deuterio-1-ethylindazole?
The IUPAC name of 6-deuterio-1-ethylindazole (CID 175709829) is 6-deuterio-1-ethylindazole.
What is the SMILES notation for 6-deuterio-1-ethylindazole?
The canonical SMILES for 6-deuterio-1-ethylindazole is [2H]c1ccc2cnn(CC)c2c1.
What is the InChIKey of 6-deuterio-1-ethylindazole?
The InChIKey is BKSKBIKKJLHPLR-QYKNYGDISA-N. The full InChI is InChI=1S/C9H10N2/c1-2-11-9-6-4-3-5-8(9)7-10-11/h3-7H,2H2,1H3/i4D.
What are the key properties of 6-deuterio-1-ethylindazole?
6-deuterio-1-ethylindazole has a molecular weight of 147.20 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-deuterio-1-ethylindazole is sourced from PubChem (CID 175709829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).