3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole

C7H11N3 — CID 169012378

IUPAC3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole
SMILESC=Cc1nc(CC)n(C)n1
InChIInChI=1S/C7H11N3/c1-4-6-8-7(5-2)10(3)9-6/h4H,1,5H2,2-3H3
InChIKeyKGGPYBMJHYPXIC-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.02
Rot. Bonds2

About 3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole

3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole (PubChem CID 169012378) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole
PubChem CID169012378
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole
SMILESC=Cc1nc(CC)n(C)n1
InChIInChI=1S/C7H11N3/c1-4-6-8-7(5-2)10(3)9-6/h4H,1,5H2,2-3H3
InChIKeyKGGPYBMJHYPXIC-UHFFFAOYSA-N
XLogP1.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole?
The IUPAC name of 3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole (CID 169012378) is 3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole is C=Cc1nc(CC)n(C)n1.
What is the InChIKey of 3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole?
The InChIKey is KGGPYBMJHYPXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-4-6-8-7(5-2)10(3)9-6/h4H,1,5H2,2-3H3.
What are the key properties of 3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole?
3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole has a molecular weight of 137.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-ethyl-1-methyl-1,2,4-triazole is sourced from PubChem (CID 169012378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).