3-(3-azidoprop-1-enyl)-2H-indazole

C10H9N5 — CID 169461871

IUPAC3-(3-azidoprop-1-enyl)-2H-indazole
SMILES[N-]=[N+]=NCC=Cc1[nH]nc2ccccc12
InChIInChI=1S/C10H9N5/c11-15-12-7-3-6-10-8-4-1-2-5-9(8)13-14-10/h1-6H,7H2,(H,13,14)
InChIKeyWKGPBBPBCLIOJC-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.89
Rot. Bonds3

About 3-(3-azidoprop-1-enyl)-2H-indazole

3-(3-azidoprop-1-enyl)-2H-indazole (PubChem CID 169461871) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-(3-azidoprop-1-enyl)-2H-indazole.

Molecular Properties

Compound Name3-(3-azidoprop-1-enyl)-2H-indazole
PubChem CID169461871
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name3-(3-azidoprop-1-enyl)-2H-indazole
SMILES[N-]=[N+]=NCC=Cc1[nH]nc2ccccc12
InChIInChI=1S/C10H9N5/c11-15-12-7-3-6-10-8-4-1-2-5-9(8)13-14-10/h1-6H,7H2,(H,13,14)
InChIKeyWKGPBBPBCLIOJC-UHFFFAOYSA-N
XLogP2.89
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.89
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 3-(3-azidoprop-1-enyl)-2H-indazole?
The IUPAC name of 3-(3-azidoprop-1-enyl)-2H-indazole (CID 169461871) is 3-(3-azidoprop-1-enyl)-2H-indazole.
What is the SMILES notation for 3-(3-azidoprop-1-enyl)-2H-indazole?
The canonical SMILES for 3-(3-azidoprop-1-enyl)-2H-indazole is [N-]=[N+]=NCC=Cc1[nH]nc2ccccc12.
What is the InChIKey of 3-(3-azidoprop-1-enyl)-2H-indazole?
The InChIKey is WKGPBBPBCLIOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-15-12-7-3-6-10-8-4-1-2-5-9(8)13-14-10/h1-6H,7H2,(H,13,14).
What are the key properties of 3-(3-azidoprop-1-enyl)-2H-indazole?
3-(3-azidoprop-1-enyl)-2H-indazole has a molecular weight of 199.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azidoprop-1-enyl)-2H-indazole is sourced from PubChem (CID 169461871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).