1-(5-ethyl-2H-triazol-4-yl)ethanone

C6H9N3O — CID 20871966

IUPAC1-(5-ethyl-2H-triazol-4-yl)ethanone
SMILESCCc1n[nH]nc1C(C)=O
InChIInChI=1S/C6H9N3O/c1-3-5-6(4(2)10)8-9-7-5/h3H2,1-2H3,(H,7,8,9)
InChIKeyBZLPYIXUEOYSHV-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.57
Rot. Bonds2

About 1-(5-ethyl-2H-triazol-4-yl)ethanone

1-(5-ethyl-2H-triazol-4-yl)ethanone (PubChem CID 20871966) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-(5-ethyl-2H-triazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-2H-triazol-4-yl)ethanone
PubChem CID20871966
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-(5-ethyl-2H-triazol-4-yl)ethanone
SMILESCCc1n[nH]nc1C(C)=O
InChIInChI=1S/C6H9N3O/c1-3-5-6(4(2)10)8-9-7-5/h3H2,1-2H3,(H,7,8,9)
InChIKeyBZLPYIXUEOYSHV-UHFFFAOYSA-N
XLogP0.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2H-triazol-4-yl)ethanone?
The IUPAC name of 1-(5-ethyl-2H-triazol-4-yl)ethanone (CID 20871966) is 1-(5-ethyl-2H-triazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-2H-triazol-4-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-2H-triazol-4-yl)ethanone is CCc1n[nH]nc1C(C)=O.
What is the InChIKey of 1-(5-ethyl-2H-triazol-4-yl)ethanone?
The InChIKey is BZLPYIXUEOYSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-3-5-6(4(2)10)8-9-7-5/h3H2,1-2H3,(H,7,8,9).
What are the key properties of 1-(5-ethyl-2H-triazol-4-yl)ethanone?
1-(5-ethyl-2H-triazol-4-yl)ethanone has a molecular weight of 139.16 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2H-triazol-4-yl)ethanone is sourced from PubChem (CID 20871966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).