3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol

C12H17N3O — CID 84724516

IUPAC3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol
SMILESCC(C)n1nc2ccc(O)cc2c1CCN
InChIInChI=1S/C12H17N3O/c1-8(2)15-12(5-6-13)10-7-9(16)3-4-11(10)14-15/h3-4,7-8,16H,5-6,13H2,1-2H3
InChIKeySGMTWEPBLWMPJR-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.82
Rot. Bonds3

About 3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol

3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol (PubChem CID 84724516) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol
PubChem CID84724516
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol
SMILESCC(C)n1nc2ccc(O)cc2c1CCN
InChIInChI=1S/C12H17N3O/c1-8(2)15-12(5-6-13)10-7-9(16)3-4-11(10)14-15/h3-4,7-8,16H,5-6,13H2,1-2H3
InChIKeySGMTWEPBLWMPJR-UHFFFAOYSA-N
XLogP1.82
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol?
The IUPAC name of 3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol (CID 84724516) is 3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol.
What is the SMILES notation for 3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol?
The canonical SMILES for 3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol is CC(C)n1nc2ccc(O)cc2c1CCN.
What is the InChIKey of 3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol?
The InChIKey is SGMTWEPBLWMPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)15-12(5-6-13)10-7-9(16)3-4-11(10)14-15/h3-4,7-8,16H,5-6,13H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol?
3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol has a molecular weight of 219.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol is sourced from PubChem (CID 84724516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).