1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone

C14H25N3O2 — CID 145305009

IUPAC1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone
SMILESCCCC(C)(C)OCC(C)(C)n1nncc1C(C)=O
InChIInChI=1S/C14H25N3O2/c1-7-8-14(5,6)19-10-13(3,4)17-12(11(2)18)9-15-16-17/h9H,7-8,10H2,1-6H3
InChIKeyVYUSSWBZZKCVON-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.81
Rot. Bonds7

About 1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone

1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone (PubChem CID 145305009) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone
PubChem CID145305009
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone
SMILESCCCC(C)(C)OCC(C)(C)n1nncc1C(C)=O
InChIInChI=1S/C14H25N3O2/c1-7-8-14(5,6)19-10-13(3,4)17-12(11(2)18)9-15-16-17/h9H,7-8,10H2,1-6H3
InChIKeyVYUSSWBZZKCVON-UHFFFAOYSA-N
XLogP2.81
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone?
The IUPAC name of 1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone (CID 145305009) is 1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone?
The canonical SMILES for 1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone is CCCC(C)(C)OCC(C)(C)n1nncc1C(C)=O.
What is the InChIKey of 1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone?
The InChIKey is VYUSSWBZZKCVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-7-8-14(5,6)19-10-13(3,4)17-12(11(2)18)9-15-16-17/h9H,7-8,10H2,1-6H3.
What are the key properties of 1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone?
1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone has a molecular weight of 267.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methyl-1-(2-methylpentan-2-yloxy)propan-2-yl]triazol-4-yl]ethanone is sourced from PubChem (CID 145305009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).