1-ethoxy-1,2,4-triazole

C4H7N3O — CID 91228709

IUPAC1-ethoxy-1,2,4-triazole
SMILESCCOn1cncn1
InChIInChI=1S/C4H7N3O/c1-2-8-7-4-5-3-6-7/h3-4H,2H2,1H3
InChIKeyNXTUMHYATJMIRN-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.27
Rot. Bonds2

About 1-ethoxy-1,2,4-triazole

1-ethoxy-1,2,4-triazole (PubChem CID 91228709) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 1-ethoxy-1,2,4-triazole.

Molecular Properties

Compound Name1-ethoxy-1,2,4-triazole
PubChem CID91228709
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name1-ethoxy-1,2,4-triazole
SMILESCCOn1cncn1
InChIInChI=1S/C4H7N3O/c1-2-8-7-4-5-3-6-7/h3-4H,2H2,1H3
InChIKeyNXTUMHYATJMIRN-UHFFFAOYSA-N
XLogP-0.27
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,2,4-triazole?
The IUPAC name of 1-ethoxy-1,2,4-triazole (CID 91228709) is 1-ethoxy-1,2,4-triazole.
What is the SMILES notation for 1-ethoxy-1,2,4-triazole?
The canonical SMILES for 1-ethoxy-1,2,4-triazole is CCOn1cncn1.
What is the InChIKey of 1-ethoxy-1,2,4-triazole?
The InChIKey is NXTUMHYATJMIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-2-8-7-4-5-3-6-7/h3-4H,2H2,1H3.
What are the key properties of 1-ethoxy-1,2,4-triazole?
1-ethoxy-1,2,4-triazole has a molecular weight of 113.12 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,2,4-triazole is sourced from PubChem (CID 91228709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).