5-ethoxy-2-ethyl-1,2,4-triazol-3-amine

C6H12N4O — CID 79872612

IUPAC5-ethoxy-2-ethyl-1,2,4-triazol-3-amine
SMILESCCOc1nc(N)n(CC)n1
InChIInChI=1S/C6H12N4O/c1-3-10-5(7)8-6(9-10)11-4-2/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyMRMNDAKSWIDAAV-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.28
Rot. Bonds3

About 5-ethoxy-2-ethyl-1,2,4-triazol-3-amine

5-ethoxy-2-ethyl-1,2,4-triazol-3-amine (PubChem CID 79872612) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-ethoxy-2-ethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-ethoxy-2-ethyl-1,2,4-triazol-3-amine
PubChem CID79872612
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name5-ethoxy-2-ethyl-1,2,4-triazol-3-amine
SMILESCCOc1nc(N)n(CC)n1
InChIInChI=1S/C6H12N4O/c1-3-10-5(7)8-6(9-10)11-4-2/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyMRMNDAKSWIDAAV-UHFFFAOYSA-N
XLogP0.28
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-ethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-ethoxy-2-ethyl-1,2,4-triazol-3-amine (CID 79872612) is 5-ethoxy-2-ethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-ethoxy-2-ethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-ethoxy-2-ethyl-1,2,4-triazol-3-amine is CCOc1nc(N)n(CC)n1.
What is the InChIKey of 5-ethoxy-2-ethyl-1,2,4-triazol-3-amine?
The InChIKey is MRMNDAKSWIDAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-3-10-5(7)8-6(9-10)11-4-2/h3-4H2,1-2H3,(H2,7,8,9).
What are the key properties of 5-ethoxy-2-ethyl-1,2,4-triazol-3-amine?
5-ethoxy-2-ethyl-1,2,4-triazol-3-amine has a molecular weight of 156.19 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-ethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 79872612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).