2-(benzotriazol-1-yl)acetamide

C8H8N4O — CID 2308125

IUPAC2-(benzotriazol-1-yl)acetamide
SMILESNC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C8H8N4O/c9-8(13)5-12-7-4-2-1-3-6(7)10-11-12/h1-4H,5H2,(H2,9,13)
InChIKeyVTGWGWRETFLFQN-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.08
Rot. Bonds2

About 2-(benzotriazol-1-yl)acetamide

2-(benzotriazol-1-yl)acetamide (PubChem CID 2308125) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)acetamide
PubChem CID2308125
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name2-(benzotriazol-1-yl)acetamide
SMILESNC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C8H8N4O/c9-8(13)5-12-7-4-2-1-3-6(7)10-11-12/h1-4H,5H2,(H2,9,13)
InChIKeyVTGWGWRETFLFQN-UHFFFAOYSA-N
XLogP-0.08
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)acetamide (CID 2308125) is 2-(benzotriazol-1-yl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)acetamide is NC(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)acetamide?
The InChIKey is VTGWGWRETFLFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-8(13)5-12-7-4-2-1-3-6(7)10-11-12/h1-4H,5H2,(H2,9,13).
What are the key properties of 2-(benzotriazol-1-yl)acetamide?
2-(benzotriazol-1-yl)acetamide has a molecular weight of 176.18 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)acetamide is sourced from PubChem (CID 2308125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).