3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole

C7H15N3O — CID 91384638

IUPAC3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole
SMILESCCOCC1=NNCN1CC
InChIInChI=1S/C7H15N3O/c1-3-10-6-8-9-7(10)5-11-4-2/h8H,3-6H2,1-2H3
InChIKeyUZSDAJLRRRWECV-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.22
Rot. Bonds4

About 3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole

3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole (PubChem CID 91384638) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole
PubChem CID91384638
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole
SMILESCCOCC1=NNCN1CC
InChIInChI=1S/C7H15N3O/c1-3-10-6-8-9-7(10)5-11-4-2/h8H,3-6H2,1-2H3
InChIKeyUZSDAJLRRRWECV-UHFFFAOYSA-N
XLogP0.22
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole (CID 91384638) is 3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole is CCOCC1=NNCN1CC.
What is the InChIKey of 3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole?
The InChIKey is UZSDAJLRRRWECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-10-6-8-9-7(10)5-11-4-2/h8H,3-6H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole?
3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole has a molecular weight of 157.22 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 91384638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).