1-(2-methoxyethyl)triazole

C5H9N3O — CID 22675237

IUPAC1-(2-methoxyethyl)triazole
SMILESCOCCn1ccnn1
InChIInChI=1S/C5H9N3O/c1-9-5-4-8-3-2-6-7-8/h2-3H,4-5H2,1H3
InChIKeyBXKWDIFARBXIQX-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.08
Rot. Bonds3

About 1-(2-methoxyethyl)triazole

1-(2-methoxyethyl)triazole (PubChem CID 22675237) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(2-methoxyethyl)triazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)triazole
PubChem CID22675237
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-(2-methoxyethyl)triazole
SMILESCOCCn1ccnn1
InChIInChI=1S/C5H9N3O/c1-9-5-4-8-3-2-6-7-8/h2-3H,4-5H2,1H3
InChIKeyBXKWDIFARBXIQX-UHFFFAOYSA-N
XLogP-0.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)triazole?
The IUPAC name of 1-(2-methoxyethyl)triazole (CID 22675237) is 1-(2-methoxyethyl)triazole.
What is the SMILES notation for 1-(2-methoxyethyl)triazole?
The canonical SMILES for 1-(2-methoxyethyl)triazole is COCCn1ccnn1.
What is the InChIKey of 1-(2-methoxyethyl)triazole?
The InChIKey is BXKWDIFARBXIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-9-5-4-8-3-2-6-7-8/h2-3H,4-5H2,1H3.
What are the key properties of 1-(2-methoxyethyl)triazole?
1-(2-methoxyethyl)triazole has a molecular weight of 127.15 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)triazole is sourced from PubChem (CID 22675237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).