1-ethyl-4-(methoxymethyl)triazole

C6H11N3O — CID 91565422

IUPAC1-ethyl-4-(methoxymethyl)triazole
SMILESCCn1cc(COC)nn1
InChIInChI=1S/C6H11N3O/c1-3-9-4-6(5-10-2)7-8-9/h4H,3,5H2,1-2H3
InChIKeyDIFCALYWSZJTKM-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.44
Rot. Bonds3

About 1-ethyl-4-(methoxymethyl)triazole

1-ethyl-4-(methoxymethyl)triazole (PubChem CID 91565422) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-ethyl-4-(methoxymethyl)triazole.

Molecular Properties

Compound Name1-ethyl-4-(methoxymethyl)triazole
PubChem CID91565422
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-ethyl-4-(methoxymethyl)triazole
SMILESCCn1cc(COC)nn1
InChIInChI=1S/C6H11N3O/c1-3-9-4-6(5-10-2)7-8-9/h4H,3,5H2,1-2H3
InChIKeyDIFCALYWSZJTKM-UHFFFAOYSA-N
XLogP0.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(methoxymethyl)triazole?
The IUPAC name of 1-ethyl-4-(methoxymethyl)triazole (CID 91565422) is 1-ethyl-4-(methoxymethyl)triazole.
What is the SMILES notation for 1-ethyl-4-(methoxymethyl)triazole?
The canonical SMILES for 1-ethyl-4-(methoxymethyl)triazole is CCn1cc(COC)nn1.
What is the InChIKey of 1-ethyl-4-(methoxymethyl)triazole?
The InChIKey is DIFCALYWSZJTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3-9-4-6(5-10-2)7-8-9/h4H,3,5H2,1-2H3.
What are the key properties of 1-ethyl-4-(methoxymethyl)triazole?
1-ethyl-4-(methoxymethyl)triazole has a molecular weight of 141.17 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(methoxymethyl)triazole is sourced from PubChem (CID 91565422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).