1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone

C10H11N3O2 — CID 71470002

IUPAC1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone
SMILESCC(=O)c1nnn(Cc2ccco2)c1C
InChIInChI=1S/C10H11N3O2/c1-7-10(8(2)14)11-12-13(7)6-9-4-3-5-15-9/h3-5H,6H2,1-2H3
InChIKeyXCWNGVNTHJSVBY-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.43
Rot. Bonds3

About 1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone

1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone (PubChem CID 71470002) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone
PubChem CID71470002
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone
SMILESCC(=O)c1nnn(Cc2ccco2)c1C
InChIInChI=1S/C10H11N3O2/c1-7-10(8(2)14)11-12-13(7)6-9-4-3-5-15-9/h3-5H,6H2,1-2H3
InChIKeyXCWNGVNTHJSVBY-UHFFFAOYSA-N
XLogP1.43
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid
CID 102644188
2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 82376236
5-methyl-1-(1,2-oxazol-5-ylmethyl)triazole-4-carboxylic acid
CID 62054209
2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide
CID 82202551
1-(furan-2-ylmethyl)-5-propyltriazol-4-amine
CID 79543353
2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 94935530
dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 758247
ethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate
CID 82202576
2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 2548804
1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid
CID 117233267
5-(aminomethyl)-1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 103121730
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone?
The IUPAC name of 1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone (CID 71470002) is 1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone is CC(=O)c1nnn(Cc2ccco2)c1C.
What is the InChIKey of 1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone?
The InChIKey is XCWNGVNTHJSVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7-10(8(2)14)11-12-13(7)6-9-4-3-5-15-9/h3-5H,6H2,1-2H3.
What are the key properties of 1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone?
1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone has a molecular weight of 205.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone is sourced from PubChem (CID 71470002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).