benzotriazol-1-yl N,N-dimethylcarbamate

C9H10N4O2 — CID 3250344

IUPACbenzotriazol-1-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)On1nnc2ccccc21
InChIInChI=1S/C9H10N4O2/c1-12(2)9(14)15-13-8-6-4-3-5-7(8)10-11-13/h3-6H,1-2H3
InChIKeyZGQHOOMVABRSSX-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.54
Rot. Bonds1

About benzotriazol-1-yl N,N-dimethylcarbamate

benzotriazol-1-yl N,N-dimethylcarbamate (PubChem CID 3250344) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is benzotriazol-1-yl N,N-dimethylcarbamate.

Molecular Properties

Compound Namebenzotriazol-1-yl N,N-dimethylcarbamate
PubChem CID3250344
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Namebenzotriazol-1-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)On1nnc2ccccc21
InChIInChI=1S/C9H10N4O2/c1-12(2)9(14)15-13-8-6-4-3-5-7(8)10-11-13/h3-6H,1-2H3
InChIKeyZGQHOOMVABRSSX-UHFFFAOYSA-N
XLogP0.54
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl N,N-dimethylcarbamate?
The IUPAC name of benzotriazol-1-yl N,N-dimethylcarbamate (CID 3250344) is benzotriazol-1-yl N,N-dimethylcarbamate.
What is the SMILES notation for benzotriazol-1-yl N,N-dimethylcarbamate?
The canonical SMILES for benzotriazol-1-yl N,N-dimethylcarbamate is CN(C)C(=O)On1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl N,N-dimethylcarbamate?
The InChIKey is ZGQHOOMVABRSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-12(2)9(14)15-13-8-6-4-3-5-7(8)10-11-13/h3-6H,1-2H3.
What are the key properties of benzotriazol-1-yl N,N-dimethylcarbamate?
benzotriazol-1-yl N,N-dimethylcarbamate has a molecular weight of 206.21 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl N,N-dimethylcarbamate is sourced from PubChem (CID 3250344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).