2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol

C9H13N5O — CID 71033789

IUPAC2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol
SMILES[N-]=[N+]=NC1CCCc2c1cnn2CCO
InChIInChI=1S/C9H13N5O/c10-13-12-8-2-1-3-9-7(8)6-11-14(9)4-5-15/h6,8,15H,1-5H2
InChIKeyZEPCHHRZROSSJM-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.56
Rot. Bonds3

About 2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol

2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol (PubChem CID 71033789) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol
PubChem CID71033789
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol
SMILES[N-]=[N+]=NC1CCCc2c1cnn2CCO
InChIInChI=1S/C9H13N5O/c10-13-12-8-2-1-3-9-7(8)6-11-14(9)4-5-15/h6,8,15H,1-5H2
InChIKeyZEPCHHRZROSSJM-UHFFFAOYSA-N
XLogP1.56
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol?
The IUPAC name of 2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol (CID 71033789) is 2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol?
The canonical SMILES for 2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol is [N-]=[N+]=NC1CCCc2c1cnn2CCO.
What is the InChIKey of 2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol?
The InChIKey is ZEPCHHRZROSSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c10-13-12-8-2-1-3-9-7(8)6-11-14(9)4-5-15/h6,8,15H,1-5H2.
What are the key properties of 2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol?
2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol has a molecular weight of 207.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azido-4,5,6,7-tetrahydroindazol-1-yl)ethanol is sourced from PubChem (CID 71033789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).