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

C5H9N3O — CID 2769383

IUPAC3-ethoxy-5-methyl-1H-1,2,4-triazole
SMILESCCOc1n[nH]c(C)n1
InChIInChI=1S/C5H9N3O/c1-3-9-5-6-4(2)7-8-5/h3H2,1-2H3,(H,6,7,8)
InChIKeyJCBHPAUCBLYNRL-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.51
Rot. Bonds2

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

3-ethoxy-5-methyl-1H-1,2,4-triazole (PubChem CID 2769383) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 3-ethoxy-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-ethoxy-5-methyl-1H-1,2,4-triazole
PubChem CID2769383
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name3-ethoxy-5-methyl-1H-1,2,4-triazole
SMILESCCOc1n[nH]c(C)n1
InChIInChI=1S/C5H9N3O/c1-3-9-5-6-4(2)7-8-5/h3H2,1-2H3,(H,6,7,8)
InChIKeyJCBHPAUCBLYNRL-UHFFFAOYSA-N
XLogP0.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-ethoxy-5-methyl-1H-1,2,4-triazole (CID 2769383) is 3-ethoxy-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-ethoxy-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-ethoxy-5-methyl-1H-1,2,4-triazole is CCOc1n[nH]c(C)n1.
What is the InChIKey of 3-ethoxy-5-methyl-1H-1,2,4-triazole?
The InChIKey is JCBHPAUCBLYNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-3-9-5-6-4(2)7-8-5/h3H2,1-2H3,(H,6,7,8).
What are the key properties of 3-ethoxy-5-methyl-1H-1,2,4-triazole?
3-ethoxy-5-methyl-1H-1,2,4-triazole has a molecular weight of 127.15 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 2769383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).