1-ethyl-1,2,4-triazole

C4H7N3 — CID 519305

IUPAC1-ethyl-1,2,4-triazole
SMILESCCn1cncn1
InChIInChI=1S/C4H7N3/c1-2-7-4-5-3-6-7/h3-4H,2H2,1H3
InChIKeyFEOIYPLRWRCSMS-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.30
Rot. Bonds1

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

1-ethyl-1,2,4-triazole (PubChem CID 519305) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 1-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-1,2,4-triazole
PubChem CID519305
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name1-ethyl-1,2,4-triazole
SMILESCCn1cncn1
InChIInChI=1S/C4H7N3/c1-2-7-4-5-3-6-7/h3-4H,2H2,1H3
InChIKeyFEOIYPLRWRCSMS-UHFFFAOYSA-N
XLogP0.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2,4-triazole?
The IUPAC name of 1-ethyl-1,2,4-triazole (CID 519305) is 1-ethyl-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-1,2,4-triazole?
The canonical SMILES for 1-ethyl-1,2,4-triazole is CCn1cncn1.
What is the InChIKey of 1-ethyl-1,2,4-triazole?
The InChIKey is FEOIYPLRWRCSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-2-7-4-5-3-6-7/h3-4H,2H2,1H3.
What are the key properties of 1-ethyl-1,2,4-triazole?
1-ethyl-1,2,4-triazole has a molecular weight of 97.12 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2,4-triazole is sourced from PubChem (CID 519305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).