2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone

C8H13N3O3 — CID 165457733

IUPAC2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone
SMILESCOCCn1nncc1C(=O)COC
InChIInChI=1S/C8H13N3O3/c1-13-4-3-11-7(5-9-10-11)8(12)6-14-2/h5H,3-4,6H2,1-2H3
InChIKeyYGSIVPRVRDJQMK-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.25
Rot. Bonds6

About 2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone

2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone (PubChem CID 165457733) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone
PubChem CID165457733
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone
SMILESCOCCn1nncc1C(=O)COC
InChIInChI=1S/C8H13N3O3/c1-13-4-3-11-7(5-9-10-11)8(12)6-14-2/h5H,3-4,6H2,1-2H3
InChIKeyYGSIVPRVRDJQMK-UHFFFAOYSA-N
XLogP-0.25
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone (CID 165457733) is 2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone is COCCn1nncc1C(=O)COC.
What is the InChIKey of 2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone?
The InChIKey is YGSIVPRVRDJQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-13-4-3-11-7(5-9-10-11)8(12)6-14-2/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone?
2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone has a molecular weight of 199.21 g/mol, XLogP of -0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone is sourced from PubChem (CID 165457733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).