1,4-diethyltriazole

C6H11N3 — CID 19779068

IUPAC1,4-diethyltriazole
SMILESCCc1cn(CC)nn1
InChIInChI=1S/C6H11N3/c1-3-6-5-9(4-2)8-7-6/h5H,3-4H2,1-2H3
InChIKeyFEXQLBQZXVUIGR-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.86
Rot. Bonds2

About 1,4-diethyltriazole

1,4-diethyltriazole (PubChem CID 19779068) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,4-diethyltriazole.

Molecular Properties

Compound Name1,4-diethyltriazole
PubChem CID19779068
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1,4-diethyltriazole
SMILESCCc1cn(CC)nn1
InChIInChI=1S/C6H11N3/c1-3-6-5-9(4-2)8-7-6/h5H,3-4H2,1-2H3
InChIKeyFEXQLBQZXVUIGR-UHFFFAOYSA-N
XLogP0.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethyltriazole?
The IUPAC name of 1,4-diethyltriazole (CID 19779068) is 1,4-diethyltriazole.
What is the SMILES notation for 1,4-diethyltriazole?
The canonical SMILES for 1,4-diethyltriazole is CCc1cn(CC)nn1.
What is the InChIKey of 1,4-diethyltriazole?
The InChIKey is FEXQLBQZXVUIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-6-5-9(4-2)8-7-6/h5H,3-4H2,1-2H3.
What are the key properties of 1,4-diethyltriazole?
1,4-diethyltriazole has a molecular weight of 125.17 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyltriazole is sourced from PubChem (CID 19779068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).