5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole

C5H6N6 — CID 169461210

IUPAC5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole
SMILES[N-]=[N+]=NCC=Cc1ncn[nH]1
InChIInChI=1S/C5H6N6/c6-11-8-3-1-2-5-7-4-9-10-5/h1-2,4H,3H2,(H,7,9,10)
InChIKeyWKRLPAZESHAOPZ-UHFFFAOYSA-N
MW150.14 g/mol
LogP1.13
Rot. Bonds3

About 5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole

5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole (PubChem CID 169461210) has the molecular formula C5H6N6 and a molecular weight of 150.14 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole
PubChem CID169461210
Molecular FormulaC5H6N6
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole
SMILES[N-]=[N+]=NCC=Cc1ncn[nH]1
InChIInChI=1S/C5H6N6/c6-11-8-3-1-2-5-7-4-9-10-5/h1-2,4H,3H2,(H,7,9,10)
InChIKeyWKRLPAZESHAOPZ-UHFFFAOYSA-N
XLogP1.13
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole (CID 169461210) is 5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole is [N-]=[N+]=NCC=Cc1ncn[nH]1.
What is the InChIKey of 5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole?
The InChIKey is WKRLPAZESHAOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6/c6-11-8-3-1-2-5-7-4-9-10-5/h1-2,4H,3H2,(H,7,9,10).
What are the key properties of 5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole?
5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole has a molecular weight of 150.14 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)-1H-1,2,4-triazole is sourced from PubChem (CID 169461210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).