3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole

C6H11N3O2 — CID 177025063

IUPAC3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole
SMILESCCOc1nc(OC)n(C)n1
InChIInChI=1S/C6H11N3O2/c1-4-11-5-7-6(10-3)9(2)8-5/h4H2,1-3H3
InChIKeyIOJMVMZDLRTYET-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.22
Rot. Bonds3

About 3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole

3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole (PubChem CID 177025063) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole
PubChem CID177025063
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole
SMILESCCOc1nc(OC)n(C)n1
InChIInChI=1S/C6H11N3O2/c1-4-11-5-7-6(10-3)9(2)8-5/h4H2,1-3H3
InChIKeyIOJMVMZDLRTYET-UHFFFAOYSA-N
XLogP0.22
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole?
The IUPAC name of 3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole (CID 177025063) is 3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole is CCOc1nc(OC)n(C)n1.
What is the InChIKey of 3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole?
The InChIKey is IOJMVMZDLRTYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-4-11-5-7-6(10-3)9(2)8-5/h4H2,1-3H3.
What are the key properties of 3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole?
3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole has a molecular weight of 157.17 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-methoxy-1-methyl-1,2,4-triazole is sourced from PubChem (CID 177025063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).