5-azido-3-ethyl-1H-1,2,4-triazole

C4H6N6 — CID 135412441

IUPAC5-azido-3-ethyl-1H-1,2,4-triazole
SMILESCCc1n[nH]c(N=[N+]=[N-])n1
InChIInChI=1S/C4H6N6/c1-2-3-6-4(8-7-3)9-10-5/h2H2,1H3,(H,6,7,8)
InChIKeyATDUFDMEPRHNCI-UHFFFAOYSA-N
MW138.13 g/mol
LogP1.31
Rot. Bonds2

About 5-azido-3-ethyl-1H-1,2,4-triazole

5-azido-3-ethyl-1H-1,2,4-triazole (PubChem CID 135412441) has the molecular formula C4H6N6 and a molecular weight of 138.13 g/mol. Its IUPAC name is 5-azido-3-ethyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-azido-3-ethyl-1H-1,2,4-triazole
PubChem CID135412441
Molecular FormulaC4H6N6
Molecular Weight138.13 g/mol
Exact Mass138.07
IUPAC Name5-azido-3-ethyl-1H-1,2,4-triazole
SMILESCCc1n[nH]c(N=[N+]=[N-])n1
InChIInChI=1S/C4H6N6/c1-2-3-6-4(8-7-3)9-10-5/h2H2,1H3,(H,6,7,8)
InChIKeyATDUFDMEPRHNCI-UHFFFAOYSA-N
XLogP1.31
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 51.31
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-azido-3-ethyl-1H-1,2,4-triazole?
The IUPAC name of 5-azido-3-ethyl-1H-1,2,4-triazole (CID 135412441) is 5-azido-3-ethyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-azido-3-ethyl-1H-1,2,4-triazole?
The canonical SMILES for 5-azido-3-ethyl-1H-1,2,4-triazole is CCc1n[nH]c(N=[N+]=[N-])n1.
What is the InChIKey of 5-azido-3-ethyl-1H-1,2,4-triazole?
The InChIKey is ATDUFDMEPRHNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6/c1-2-3-6-4(8-7-3)9-10-5/h2H2,1H3,(H,6,7,8).
What are the key properties of 5-azido-3-ethyl-1H-1,2,4-triazole?
5-azido-3-ethyl-1H-1,2,4-triazole has a molecular weight of 138.13 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-3-ethyl-1H-1,2,4-triazole is sourced from PubChem (CID 135412441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).