1-(2-azidoethyl)triazole

C4H6N6 — CID 91381102

IUPAC1-(2-azidoethyl)triazole
SMILES[N-]=[N+]=NCCn1ccnn1
InChIInChI=1S/C4H6N6/c5-8-6-1-3-10-4-2-7-9-10/h2,4H,1,3H2
InChIKeyQRZCUTVVIKKVLZ-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.59
Rot. Bonds3

About 1-(2-azidoethyl)triazole

1-(2-azidoethyl)triazole (PubChem CID 91381102) has the molecular formula C4H6N6 and a molecular weight of 138.13 g/mol. Its IUPAC name is 1-(2-azidoethyl)triazole.

Molecular Properties

Compound Name1-(2-azidoethyl)triazole
PubChem CID91381102
Molecular FormulaC4H6N6
Molecular Weight138.13 g/mol
Exact Mass138.07
IUPAC Name1-(2-azidoethyl)triazole
SMILES[N-]=[N+]=NCCn1ccnn1
InChIInChI=1S/C4H6N6/c5-8-6-1-3-10-4-2-7-9-10/h2,4H,1,3H2
InChIKeyQRZCUTVVIKKVLZ-UHFFFAOYSA-N
XLogP0.59
TPSA79.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-Methyl-1H-1,2,3-triazole
CID 140119
1-ethenyl-1H-1,2,3-triazole
CID 11309474
1-butyl-1H-1,2,3-triazole
CID 11446322
2-(1H-1,2,3-Triazol-1-yl)ethanamine
CID 22561972
3-(1H-1,2,3-Triazol-1-yl)propanenitrile
CID 15568554
1H-1,2,3-Triazole-1-acetonitrile
CID 18002315
1-(2-bromoethyl)-1H-1,2,3-triazole
CID 25139710
4-bromo-1-ethyl-1H-1,2,3-triazole
CID 72218186
5-bromo-1-ethyl-1H-1,2,3-triazole
CID 72218190
4-(1H-1,2,3-triazol-1-yl)butan-1-amine
CID 75355685
4-iodo-1-methyl-1H-1,2,3-triazole
CID 89777727
1-(3-Iodoprop-2-ynyl)triazole
CID 497112

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)triazole?
The IUPAC name of 1-(2-azidoethyl)triazole (CID 91381102) is 1-(2-azidoethyl)triazole.
What is the SMILES notation for 1-(2-azidoethyl)triazole?
The canonical SMILES for 1-(2-azidoethyl)triazole is [N-]=[N+]=NCCn1ccnn1.
What is the InChIKey of 1-(2-azidoethyl)triazole?
The InChIKey is QRZCUTVVIKKVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6/c5-8-6-1-3-10-4-2-7-9-10/h2,4H,1,3H2.
What are the key properties of 1-(2-azidoethyl)triazole?
1-(2-azidoethyl)triazole has a molecular weight of 138.13 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)triazole is sourced from PubChem (CID 91381102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).