5-ethyl-4-methyl-4H-triazole

C5H9N3 — CID 174053844

IUPAC5-ethyl-4-methyl-4H-triazole
SMILESCCC1=NN=NC1C
InChIInChI=1S/C5H9N3/c1-3-5-4(2)6-8-7-5/h4H,3H2,1-2H3
InChIKeyVHGMYCTXCLXUFB-UHFFFAOYSA-N
MW111.15 g/mol
LogP1.61
Rot. Bonds1

About 5-ethyl-4-methyl-4H-triazole

5-ethyl-4-methyl-4H-triazole (PubChem CID 174053844) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 5-ethyl-4-methyl-4H-triazole.

Molecular Properties

Compound Name5-ethyl-4-methyl-4H-triazole
PubChem CID174053844
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name5-ethyl-4-methyl-4H-triazole
SMILESCCC1=NN=NC1C
InChIInChI=1S/C5H9N3/c1-3-5-4(2)6-8-7-5/h4H,3H2,1-2H3
InChIKeyVHGMYCTXCLXUFB-UHFFFAOYSA-N
XLogP1.61
TPSA37.08 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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-4H-triazole?
The IUPAC name of 5-ethyl-4-methyl-4H-triazole (CID 174053844) is 5-ethyl-4-methyl-4H-triazole.
What is the SMILES notation for 5-ethyl-4-methyl-4H-triazole?
The canonical SMILES for 5-ethyl-4-methyl-4H-triazole is CCC1=NN=NC1C.
What is the InChIKey of 5-ethyl-4-methyl-4H-triazole?
The InChIKey is VHGMYCTXCLXUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-3-5-4(2)6-8-7-5/h4H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-methyl-4H-triazole?
5-ethyl-4-methyl-4H-triazole has a molecular weight of 111.15 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-4H-triazole is sourced from PubChem (CID 174053844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).