5-ethyl-1,2,4-triazol-3-imine

C4H6N4 — CID 57205185

IUPAC5-ethyl-1,2,4-triazol-3-imine
SMILES[H]/N=C1\N=NC(CC)=N1
InChIInChI=1S/C4H6N4/c1-2-3-6-4(5)8-7-3/h5H,2H2,1H3/b5-4-
InChIKeyZUQBOLGKTTYYBN-PLNGDYQASA-N
MW110.12 g/mol
LogP1.20
Rot. Bonds1

About 5-ethyl-1,2,4-triazol-3-imine

5-ethyl-1,2,4-triazol-3-imine (PubChem CID 57205185) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is 5-ethyl-1,2,4-triazol-3-imine.

Molecular Properties

Compound Name5-ethyl-1,2,4-triazol-3-imine
PubChem CID57205185
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name5-ethyl-1,2,4-triazol-3-imine
SMILES[H]/N=C1\N=NC(CC)=N1
InChIInChI=1S/C4H6N4/c1-2-3-6-4(5)8-7-3/h5H,2H2,1H3/b5-4-
InChIKeyZUQBOLGKTTYYBN-PLNGDYQASA-N
XLogP1.20
TPSA60.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,4-triazol-3-imine?
The IUPAC name of 5-ethyl-1,2,4-triazol-3-imine (CID 57205185) is 5-ethyl-1,2,4-triazol-3-imine.
What is the SMILES notation for 5-ethyl-1,2,4-triazol-3-imine?
The canonical SMILES for 5-ethyl-1,2,4-triazol-3-imine is [H]/N=C1\N=NC(CC)=N1.
What is the InChIKey of 5-ethyl-1,2,4-triazol-3-imine?
The InChIKey is ZUQBOLGKTTYYBN-PLNGDYQASA-N. The full InChI is InChI=1S/C4H6N4/c1-2-3-6-4(5)8-7-3/h5H,2H2,1H3/b5-4-.
What are the key properties of 5-ethyl-1,2,4-triazol-3-imine?
5-ethyl-1,2,4-triazol-3-imine has a molecular weight of 110.12 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,4-triazol-3-imine is sourced from PubChem (CID 57205185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).