1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol

C9H14N2O2 — CID 89208394

IUPAC1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol
SMILESOCCn1ncc2c1CCCC2O
InChIInChI=1S/C9H14N2O2/c12-5-4-11-8-2-1-3-9(13)7(8)6-10-11/h6,9,12-13H,1-5H2
InChIKeyQUWPROYUNUPRHC-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.25
Rot. Bonds2

About 1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol

1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 89208394) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID89208394
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol
SMILESOCCn1ncc2c1CCCC2O
InChIInChI=1S/C9H14N2O2/c12-5-4-11-8-2-1-3-9(13)7(8)6-10-11/h6,9,12-13H,1-5H2
InChIKeyQUWPROYUNUPRHC-UHFFFAOYSA-N
XLogP0.25
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol (CID 89208394) is 1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol is OCCn1ncc2c1CCCC2O.
What is the InChIKey of 1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is QUWPROYUNUPRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-5-4-11-8-2-1-3-9(13)7(8)6-10-11/h6,9,12-13H,1-5H2.
What are the key properties of 1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol?
1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 182.22 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 89208394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).