2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide

C8H14N4O2 — CID 112603270

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(C)(C)OCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H14N4O2/c1-8(2,3)14-4-6(13)11-7-9-5-10-12-7/h5H,4H2,1-3H3,(H2,9,10,11,12,13)
InChIKeyKMTHOSDWBVLSBW-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.56
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide

2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 112603270) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID112603270
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(C)(C)OCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H14N4O2/c1-8(2,3)14-4-6(13)11-7-9-5-10-12-7/h5H,4H2,1-3H3,(H2,9,10,11,12,13)
InChIKeyKMTHOSDWBVLSBW-UHFFFAOYSA-N
XLogP0.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 112603270) is 2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide is CC(C)(C)OCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is KMTHOSDWBVLSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-8(2,3)14-4-6(13)11-7-9-5-10-12-7/h5H,4H2,1-3H3,(H2,9,10,11,12,13).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 198.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 112603270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).