2-(benzotriazol-1-yl)-N,N-dimethylacetamide

C10H12N4O — CID 39967035

IUPAC2-(benzotriazol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C10H12N4O/c1-13(2)10(15)7-14-9-6-4-3-5-8(9)11-12-14/h3-6H,7H2,1-2H3
InChIKeyGLFVJFHTWGBMQX-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.52
Rot. Bonds2

About 2-(benzotriazol-1-yl)-N,N-dimethylacetamide

2-(benzotriazol-1-yl)-N,N-dimethylacetamide (PubChem CID 39967035) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N,N-dimethylacetamide
PubChem CID39967035
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(benzotriazol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C10H12N4O/c1-13(2)10(15)7-14-9-6-4-3-5-8(9)11-12-14/h3-6H,7H2,1-2H3
InChIKeyGLFVJFHTWGBMQX-UHFFFAOYSA-N
XLogP0.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N,N-dimethylacetamide (CID 39967035) is 2-(benzotriazol-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N,N-dimethylacetamide?
The InChIKey is GLFVJFHTWGBMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-13(2)10(15)7-14-9-6-4-3-5-8(9)11-12-14/h3-6H,7H2,1-2H3.
What are the key properties of 2-(benzotriazol-1-yl)-N,N-dimethylacetamide?
2-(benzotriazol-1-yl)-N,N-dimethylacetamide has a molecular weight of 204.23 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 39967035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).