3-ethyl-4-methyl-1,2,4-triazole

C5H9N3 — CID 18726713

IUPAC3-ethyl-4-methyl-1,2,4-triazole
SMILESCCc1nncn1C
InChIInChI=1S/C5H9N3/c1-3-5-7-6-4-8(5)2/h4H,3H2,1-2H3
InChIKeyFLPWYJGTTKUYRV-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.38
Rot. Bonds1

About 3-ethyl-4-methyl-1,2,4-triazole

3-ethyl-4-methyl-1,2,4-triazole (PubChem CID 18726713) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 3-ethyl-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-4-methyl-1,2,4-triazole
PubChem CID18726713
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name3-ethyl-4-methyl-1,2,4-triazole
SMILESCCc1nncn1C
InChIInChI=1S/C5H9N3/c1-3-5-7-6-4-8(5)2/h4H,3H2,1-2H3
InChIKeyFLPWYJGTTKUYRV-UHFFFAOYSA-N
XLogP0.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-1,2,4-triazole?
The IUPAC name of 3-ethyl-4-methyl-1,2,4-triazole (CID 18726713) is 3-ethyl-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-ethyl-4-methyl-1,2,4-triazole is CCc1nncn1C.
What is the InChIKey of 3-ethyl-4-methyl-1,2,4-triazole?
The InChIKey is FLPWYJGTTKUYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-3-5-7-6-4-8(5)2/h4H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-methyl-1,2,4-triazole?
3-ethyl-4-methyl-1,2,4-triazole has a molecular weight of 111.15 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-1,2,4-triazole is sourced from PubChem (CID 18726713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).