3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole

C6H13N3O — CID 121390390

IUPAC3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole
SMILESCCN1C=C(COC)NN1
InChIInChI=1S/C6H13N3O/c1-3-9-4-6(5-10-2)7-8-9/h4,7-8H,3,5H2,1-2H3
InChIKeyVKLLDAUKSYJZNC-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.18
Rot. Bonds3

About 3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole

3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole (PubChem CID 121390390) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole.

Molecular Properties

Compound Name3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole
PubChem CID121390390
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole
SMILESCCN1C=C(COC)NN1
InChIInChI=1S/C6H13N3O/c1-3-9-4-6(5-10-2)7-8-9/h4,7-8H,3,5H2,1-2H3
InChIKeyVKLLDAUKSYJZNC-UHFFFAOYSA-N
XLogP-0.18
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole?
The IUPAC name of 3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole (CID 121390390) is 3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole.
What is the SMILES notation for 3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole?
The canonical SMILES for 3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole is CCN1C=C(COC)NN1.
What is the InChIKey of 3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole?
The InChIKey is VKLLDAUKSYJZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-3-9-4-6(5-10-2)7-8-9/h4,7-8H,3,5H2,1-2H3.
What are the key properties of 3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole?
3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole has a molecular weight of 143.19 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(methoxymethyl)-1,2-dihydrotriazole is sourced from PubChem (CID 121390390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).