6-azido-1H-indazole

C7H5N5 — CID 12675903

IUPAC6-azido-1H-indazole
SMILES[N-]=[N+]=Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C7H5N5/c8-12-10-6-2-1-5-4-9-11-7(5)3-6/h1-4H,(H,9,11)
InChIKeyCXCLSRHPGZIRJB-UHFFFAOYSA-N
MW159.15 g/mol
LogP2.50
Rot. Bonds1

About 6-azido-1H-indazole

6-azido-1H-indazole (PubChem CID 12675903) has the molecular formula C7H5N5 and a molecular weight of 159.15 g/mol. Its IUPAC name is 6-azido-1H-indazole.

Molecular Properties

Compound Name6-azido-1H-indazole
PubChem CID12675903
Molecular FormulaC7H5N5
Molecular Weight159.15 g/mol
Exact Mass159.05
IUPAC Name6-azido-1H-indazole
SMILES[N-]=[N+]=Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C7H5N5/c8-12-10-6-2-1-5-4-9-11-7(5)3-6/h1-4H,(H,9,11)
InChIKeyCXCLSRHPGZIRJB-UHFFFAOYSA-N
XLogP2.50
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-azido-1H-indazole?
The IUPAC name of 6-azido-1H-indazole (CID 12675903) is 6-azido-1H-indazole.
What is the SMILES notation for 6-azido-1H-indazole?
The canonical SMILES for 6-azido-1H-indazole is [N-]=[N+]=Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 6-azido-1H-indazole?
The InChIKey is CXCLSRHPGZIRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5/c8-12-10-6-2-1-5-4-9-11-7(5)3-6/h1-4H,(H,9,11).
What are the key properties of 6-azido-1H-indazole?
6-azido-1H-indazole has a molecular weight of 159.15 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-1H-indazole is sourced from PubChem (CID 12675903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).