4-azido-2H-triazole

C2H2N6 — CID 14147618

IUPAC4-azido-2H-triazole
SMILES[N-]=[N+]=Nc1cn[nH]n1
InChIInChI=1S/C2H2N6/c3-7-5-2-1-4-8-6-2/h1H,(H,4,6,8)
InChIKeyGUOOPKFHDHEVKG-UHFFFAOYSA-N
MW110.08 g/mol
LogP0.75
Rot. Bonds1

About 4-azido-2H-triazole

4-azido-2H-triazole (PubChem CID 14147618) has the molecular formula C2H2N6 and a molecular weight of 110.08 g/mol. Its IUPAC name is 4-azido-2H-triazole.

Molecular Properties

Compound Name4-azido-2H-triazole
PubChem CID14147618
Molecular FormulaC2H2N6
Molecular Weight110.08 g/mol
Exact Mass110.03
IUPAC Name4-azido-2H-triazole
SMILES[N-]=[N+]=Nc1cn[nH]n1
InChIInChI=1S/C2H2N6/c3-7-5-2-1-4-8-6-2/h1H,(H,4,6,8)
InChIKeyGUOOPKFHDHEVKG-UHFFFAOYSA-N
XLogP0.75
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.08
LogP ≤ 50.75
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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Related Compounds

4-Amino-1,2,3-triazole
CID 12295187
1H-1,2,3-triazol-4-amine hydrochloride
CID 53255492
5-Amino-3-mercaptotriazole
CID 18427063
3,4-Diaminotriazole
CID 19021718
Hydrazinotriazole
CID 19702152
3,5-Diaminotriazole
CID 21872217
2,5-Diamino-triazole
CID 22625314
4-Amino-3-mercaptotriazole
CID 53734467
Nitrosotriazole
CID 54480142
2H-triazol-4-yldiazene
CID 136053471
Azobis triazole
CID 136334190
Triazenyl-1,2,3-triazole
CID 136430317

Frequently Asked Questions

What is the IUPAC name of 4-azido-2H-triazole?
The IUPAC name of 4-azido-2H-triazole (CID 14147618) is 4-azido-2H-triazole.
What is the SMILES notation for 4-azido-2H-triazole?
The canonical SMILES for 4-azido-2H-triazole is [N-]=[N+]=Nc1cn[nH]n1.
What is the InChIKey of 4-azido-2H-triazole?
The InChIKey is GUOOPKFHDHEVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N6/c3-7-5-2-1-4-8-6-2/h1H,(H,4,6,8).
What are the key properties of 4-azido-2H-triazole?
4-azido-2H-triazole has a molecular weight of 110.08 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2H-triazole is sourced from PubChem (CID 14147618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).