5-ethyl-1H-1,2,4-triazole

C4H7N3 — CID 23891

IUPAC5-ethyl-1H-1,2,4-triazole
SMILESCCc1ncn[nH]1
InChIInChI=1S/C4H7N3/c1-2-4-5-3-6-7-4/h3H,2H2,1H3,(H,5,6,7)
InChIKeyJDIPHBYZUMQFQV-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.37
Rot. Bonds1

About 5-ethyl-1H-1,2,4-triazole

5-ethyl-1H-1,2,4-triazole (PubChem CID 23891) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 5-ethyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-ethyl-1H-1,2,4-triazole
PubChem CID23891
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name5-ethyl-1H-1,2,4-triazole
SMILESCCc1ncn[nH]1
InChIInChI=1S/C4H7N3/c1-2-4-5-3-6-7-4/h3H,2H2,1H3,(H,5,6,7)
InChIKeyJDIPHBYZUMQFQV-UHFFFAOYSA-N
XLogP0.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1H-1,2,4-triazole?
The IUPAC name of 5-ethyl-1H-1,2,4-triazole (CID 23891) is 5-ethyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-ethyl-1H-1,2,4-triazole?
The canonical SMILES for 5-ethyl-1H-1,2,4-triazole is CCc1ncn[nH]1.
What is the InChIKey of 5-ethyl-1H-1,2,4-triazole?
The InChIKey is JDIPHBYZUMQFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-2-4-5-3-6-7-4/h3H,2H2,1H3,(H,5,6,7).
What are the key properties of 5-ethyl-1H-1,2,4-triazole?
5-ethyl-1H-1,2,4-triazole has a molecular weight of 97.12 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1H-1,2,4-triazole is sourced from PubChem (CID 23891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).