6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one

C11H19N3O2 — CID 167512912

IUPAC6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one
SMILESCOCCc1cnnn1CCCCC(C)=O
InChIInChI=1S/C11H19N3O2/c1-10(15)5-3-4-7-14-11(6-8-16-2)9-12-13-14/h9H,3-8H2,1-2H3
InChIKeyOGMLYKLAOZLZAT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.23
Rot. Bonds8

About 6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one

6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one (PubChem CID 167512912) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one.

Molecular Properties

Compound Name6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one
PubChem CID167512912
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one
SMILESCOCCc1cnnn1CCCCC(C)=O
InChIInChI=1S/C11H19N3O2/c1-10(15)5-3-4-7-14-11(6-8-16-2)9-12-13-14/h9H,3-8H2,1-2H3
InChIKeyOGMLYKLAOZLZAT-UHFFFAOYSA-N
XLogP1.23
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(2-methoxyethyl)triazol-4-yl]methanol
CID 112757669
4-[5-(2-methoxy-2-oxoethyl)triazol-1-yl]butanoic acid
CID 82222525
N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine
CID 114690126
5-(5-propyltriazol-1-yl)pentanal
CID 87815331
17-methoxyheptadecan-2-one
CID 59530855
5-(5-butyltriazol-1-yl)pentanal
CID 87815003
5-(3-methylbutyl)-1-(8-methylnonyl)triazole
CID 59827215
1-(9-methyldecyl)-5-(4-methylpentyl)triazole
CID 121260609
1-(7-methyloctyl)-5-(4-methylpentyl)triazole
CID 59827225
N-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine
CID 167213652
3-(3-propyltriazol-4-yl)propan-1-ol
CID 114690518
2-methoxy-1-[3-(2-methoxyethyl)triazol-4-yl]ethanone
CID 165457733

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one?
The IUPAC name of 6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one (CID 167512912) is 6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one.
What is the SMILES notation for 6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one?
The canonical SMILES for 6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one is COCCc1cnnn1CCCCC(C)=O.
What is the InChIKey of 6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one?
The InChIKey is OGMLYKLAOZLZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-10(15)5-3-4-7-14-11(6-8-16-2)9-12-13-14/h9H,3-8H2,1-2H3.
What are the key properties of 6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one?
6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one has a molecular weight of 225.29 g/mol, XLogP of 1.23, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one is sourced from PubChem (CID 167512912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).