3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol

C12H16ClN3O3 — CID 129097416

IUPAC3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol
SMILESCC(N)c1cc(Cl)c2cn[nH]c2c1OCC(O)CO
InChIInChI=1S/C12H16ClN3O3/c1-6(14)8-2-10(13)9-3-15-16-11(9)12(8)19-5-7(18)4-17/h2-3,6-7,17-18H,4-5,14H2,1H3,(H,15,16)
InChIKeyOKTKPJFQFPALMZ-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.97
Rot. Bonds5

About 3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol

3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol (PubChem CID 129097416) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol
PubChem CID129097416
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol
SMILESCC(N)c1cc(Cl)c2cn[nH]c2c1OCC(O)CO
InChIInChI=1S/C12H16ClN3O3/c1-6(14)8-2-10(13)9-3-15-16-11(9)12(8)19-5-7(18)4-17/h2-3,6-7,17-18H,4-5,14H2,1H3,(H,15,16)
InChIKeyOKTKPJFQFPALMZ-UHFFFAOYSA-N
XLogP0.97
TPSA104.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol?
The IUPAC name of 3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol (CID 129097416) is 3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol.
What is the SMILES notation for 3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol?
The canonical SMILES for 3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol is CC(N)c1cc(Cl)c2cn[nH]c2c1OCC(O)CO.
What is the InChIKey of 3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol?
The InChIKey is OKTKPJFQFPALMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-6(14)8-2-10(13)9-3-15-16-11(9)12(8)19-5-7(18)4-17/h2-3,6-7,17-18H,4-5,14H2,1H3,(H,15,16).
What are the key properties of 3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol?
3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol has a molecular weight of 285.73 g/mol, XLogP of 0.97, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]oxy]propane-1,2-diol is sourced from PubChem (CID 129097416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).