4,5,6,7-tetrahydro-1H-indazol-5-yl formate

C8H10N2O2 — CID 118699355

IUPAC4,5,6,7-tetrahydro-1H-indazol-5-yl formate
SMILESO=COC1CCc2[nH]ncc2C1
InChIInChI=1S/C8H10N2O2/c11-5-12-7-1-2-8-6(3-7)4-9-10-8/h4-5,7H,1-3H2,(H,9,10)
InChIKeyAXASQCVBUILAPV-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.44
Rot. Bonds2

About 4,5,6,7-tetrahydro-1H-indazol-5-yl formate

4,5,6,7-tetrahydro-1H-indazol-5-yl formate (PubChem CID 118699355) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-indazol-5-yl formate.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-indazol-5-yl formate
PubChem CID118699355
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4,5,6,7-tetrahydro-1H-indazol-5-yl formate
SMILESO=COC1CCc2[nH]ncc2C1
InChIInChI=1S/C8H10N2O2/c11-5-12-7-1-2-8-6(3-7)4-9-10-8/h4-5,7H,1-3H2,(H,9,10)
InChIKeyAXASQCVBUILAPV-UHFFFAOYSA-N
XLogP0.44
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-5-yl formate?
The IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-5-yl formate (CID 118699355) is 4,5,6,7-tetrahydro-1H-indazol-5-yl formate.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-indazol-5-yl formate?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-indazol-5-yl formate is O=COC1CCc2[nH]ncc2C1.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-indazol-5-yl formate?
The InChIKey is AXASQCVBUILAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-5-12-7-1-2-8-6(3-7)4-9-10-8/h4-5,7H,1-3H2,(H,9,10).
What are the key properties of 4,5,6,7-tetrahydro-1H-indazol-5-yl formate?
4,5,6,7-tetrahydro-1H-indazol-5-yl formate has a molecular weight of 166.18 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-indazol-5-yl formate is sourced from PubChem (CID 118699355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).