3-ethyl-4,5-dimethyl-1,2,4-triazole

C6H11N3 — CID 18726711

IUPAC3-ethyl-4,5-dimethyl-1,2,4-triazole
SMILESCCc1nnc(C)n1C
InChIInChI=1S/C6H11N3/c1-4-6-8-7-5(2)9(6)3/h4H2,1-3H3
InChIKeyWFKJEFYZRRUUJD-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.69
Rot. Bonds1

About 3-ethyl-4,5-dimethyl-1,2,4-triazole

3-ethyl-4,5-dimethyl-1,2,4-triazole (PubChem CID 18726711) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-ethyl-4,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-4,5-dimethyl-1,2,4-triazole
PubChem CID18726711
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3-ethyl-4,5-dimethyl-1,2,4-triazole
SMILESCCc1nnc(C)n1C
InChIInChI=1S/C6H11N3/c1-4-6-8-7-5(2)9(6)3/h4H2,1-3H3
InChIKeyWFKJEFYZRRUUJD-UHFFFAOYSA-N
XLogP0.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-ethyl-4,5-dimethyl-1,2,4-triazole (CID 18726711) is 3-ethyl-4,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-4,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-ethyl-4,5-dimethyl-1,2,4-triazole is CCc1nnc(C)n1C.
What is the InChIKey of 3-ethyl-4,5-dimethyl-1,2,4-triazole?
The InChIKey is WFKJEFYZRRUUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-6-8-7-5(2)9(6)3/h4H2,1-3H3.
What are the key properties of 3-ethyl-4,5-dimethyl-1,2,4-triazole?
3-ethyl-4,5-dimethyl-1,2,4-triazole has a molecular weight of 125.17 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 18726711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).