3,4-diethyl-1,2,4-triazole

C6H11N3 — CID 20551533

IUPAC3,4-diethyl-1,2,4-triazole
SMILESCCc1nncn1CC
InChIInChI=1S/C6H11N3/c1-3-6-8-7-5-9(6)4-2/h5H,3-4H2,1-2H3
InChIKeyGXHQSZJOEIJLMQ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.86
Rot. Bonds2

About 3,4-diethyl-1,2,4-triazole

3,4-diethyl-1,2,4-triazole (PubChem CID 20551533) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3,4-diethyl-1,2,4-triazole.

Molecular Properties

Compound Name3,4-diethyl-1,2,4-triazole
PubChem CID20551533
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3,4-diethyl-1,2,4-triazole
SMILESCCc1nncn1CC
InChIInChI=1S/C6H11N3/c1-3-6-8-7-5-9(6)4-2/h5H,3-4H2,1-2H3
InChIKeyGXHQSZJOEIJLMQ-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 3,4-diethyl-1,2,4-triazole?
The IUPAC name of 3,4-diethyl-1,2,4-triazole (CID 20551533) is 3,4-diethyl-1,2,4-triazole.
What is the SMILES notation for 3,4-diethyl-1,2,4-triazole?
The canonical SMILES for 3,4-diethyl-1,2,4-triazole is CCc1nncn1CC.
What is the InChIKey of 3,4-diethyl-1,2,4-triazole?
The InChIKey is GXHQSZJOEIJLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-6-8-7-5-9(6)4-2/h5H,3-4H2,1-2H3.
What are the key properties of 3,4-diethyl-1,2,4-triazole?
3,4-diethyl-1,2,4-triazole 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 3,4-diethyl-1,2,4-triazole is sourced from PubChem (CID 20551533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).