4-(3-azidoprop-1-enyl)-1H-indazole

C10H9N5 — CID 169461875

IUPAC4-(3-azidoprop-1-enyl)-1H-indazole
SMILES[N-]=[N+]=NCC=Cc1cccc2[nH]ncc12
InChIInChI=1S/C10H9N5/c11-15-12-6-2-4-8-3-1-5-10-9(8)7-13-14-10/h1-5,7H,6H2,(H,13,14)
InChIKeyODPCGORKVHJQGG-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.89
Rot. Bonds3

About 4-(3-azidoprop-1-enyl)-1H-indazole

4-(3-azidoprop-1-enyl)-1H-indazole (PubChem CID 169461875) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-(3-azidoprop-1-enyl)-1H-indazole.

Molecular Properties

Compound Name4-(3-azidoprop-1-enyl)-1H-indazole
PubChem CID169461875
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name4-(3-azidoprop-1-enyl)-1H-indazole
SMILES[N-]=[N+]=NCC=Cc1cccc2[nH]ncc12
InChIInChI=1S/C10H9N5/c11-15-12-6-2-4-8-3-1-5-10-9(8)7-13-14-10/h1-5,7H,6H2,(H,13,14)
InChIKeyODPCGORKVHJQGG-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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Related Compounds

4-(1H-indazol-4-yl)but-3-enenitrile
CID 170799821
4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine
CID 169461227
6-(3-azidoprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine
CID 169461887
3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
CID 169461306
4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole
CID 167200953
1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene
CID 151588086
2-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene
CID 169462599
3-(3-azidoprop-1-enyl)-2H-indazole
CID 169461871
3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde
CID 169462862
2-(3-azidoprop-1-enyl)-6-methylphenol
CID 169461388

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidoprop-1-enyl)-1H-indazole?
The IUPAC name of 4-(3-azidoprop-1-enyl)-1H-indazole (CID 169461875) is 4-(3-azidoprop-1-enyl)-1H-indazole.
What is the SMILES notation for 4-(3-azidoprop-1-enyl)-1H-indazole?
The canonical SMILES for 4-(3-azidoprop-1-enyl)-1H-indazole is [N-]=[N+]=NCC=Cc1cccc2[nH]ncc12.
What is the InChIKey of 4-(3-azidoprop-1-enyl)-1H-indazole?
The InChIKey is ODPCGORKVHJQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-15-12-6-2-4-8-3-1-5-10-9(8)7-13-14-10/h1-5,7H,6H2,(H,13,14).
What are the key properties of 4-(3-azidoprop-1-enyl)-1H-indazole?
4-(3-azidoprop-1-enyl)-1H-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 4-(3-azidoprop-1-enyl)-1H-indazole is sourced from PubChem (CID 169461875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).