1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole

C10H10N6O — CID 71695771

IUPAC1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole
SMILESOn1ncc2cc(CCc3nn[nH]n3)ccc21
InChIInChI=1S/C10H10N6O/c17-16-9-3-1-7(5-8(9)6-11-16)2-4-10-12-14-15-13-10/h1,3,5-6,17H,2,4H2,(H,12,13,14,15)
InChIKeyYGDLGRHJAGOPII-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.57
Rot. Bonds3

About 1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole

1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole (PubChem CID 71695771) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole.

Molecular Properties

Compound Name1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole
PubChem CID71695771
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole
SMILESOn1ncc2cc(CCc3nn[nH]n3)ccc21
InChIInChI=1S/C10H10N6O/c17-16-9-3-1-7(5-8(9)6-11-16)2-4-10-12-14-15-13-10/h1,3,5-6,17H,2,4H2,(H,12,13,14,15)
InChIKeyYGDLGRHJAGOPII-UHFFFAOYSA-N
XLogP0.57
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole?
The IUPAC name of 1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole (CID 71695771) is 1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole.
What is the SMILES notation for 1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole?
The canonical SMILES for 1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole is On1ncc2cc(CCc3nn[nH]n3)ccc21.
What is the InChIKey of 1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole?
The InChIKey is YGDLGRHJAGOPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c17-16-9-3-1-7(5-8(9)6-11-16)2-4-10-12-14-15-13-10/h1,3,5-6,17H,2,4H2,(H,12,13,14,15).
What are the key properties of 1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole?
1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole has a molecular weight of 230.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]indazole is sourced from PubChem (CID 71695771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).