ethyl N-(benzotriazol-1-yl)carbamate

C9H10N4O2 — CID 71192391

IUPACethyl N-(benzotriazol-1-yl)carbamate
SMILESCCOC(=O)Nn1nnc2ccccc21
InChIInChI=1S/C9H10N4O2/c1-2-15-9(14)11-13-8-6-4-3-5-7(8)10-12-13/h3-6H,2H2,1H3,(H,11,14)
InChIKeyOIKWAWUGNCYULR-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.13
Rot. Bonds2

About ethyl N-(benzotriazol-1-yl)carbamate

ethyl N-(benzotriazol-1-yl)carbamate (PubChem CID 71192391) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl N-(benzotriazol-1-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(benzotriazol-1-yl)carbamate
PubChem CID71192391
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Nameethyl N-(benzotriazol-1-yl)carbamate
SMILESCCOC(=O)Nn1nnc2ccccc21
InChIInChI=1S/C9H10N4O2/c1-2-15-9(14)11-13-8-6-4-3-5-7(8)10-12-13/h3-6H,2H2,1H3,(H,11,14)
InChIKeyOIKWAWUGNCYULR-UHFFFAOYSA-N
XLogP1.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzotriazol-1-yl)-2-chloroacetamide
CID 69222280
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CID 89402621
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
ethyl 2-(benzotriazol-1-yl)-2-ethoxyacetate
CID 3719273
ethyl 4-(benzotriazol-1-yl)-1H-pyrrole-2-carboxylate
CID 11043346
N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide
CID 9429890
N-(benzotriazol-1-yl)-3-bromobenzamide
CID 171984668
ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate
CID 40525614
benzotriazol-1-yl 2-(methylamino)acetate
CID 58945313
ethyl 4-(benzotriazol-1-yloxy)butanoate
CID 86214359
ethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
CID 110455410

Frequently Asked Questions

What is the IUPAC name of ethyl N-(benzotriazol-1-yl)carbamate?
The IUPAC name of ethyl N-(benzotriazol-1-yl)carbamate (CID 71192391) is ethyl N-(benzotriazol-1-yl)carbamate.
What is the SMILES notation for ethyl N-(benzotriazol-1-yl)carbamate?
The canonical SMILES for ethyl N-(benzotriazol-1-yl)carbamate is CCOC(=O)Nn1nnc2ccccc21.
What is the InChIKey of ethyl N-(benzotriazol-1-yl)carbamate?
The InChIKey is OIKWAWUGNCYULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-15-9(14)11-13-8-6-4-3-5-7(8)10-12-13/h3-6H,2H2,1H3,(H,11,14).
What are the key properties of ethyl N-(benzotriazol-1-yl)carbamate?
ethyl N-(benzotriazol-1-yl)carbamate has a molecular weight of 206.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(benzotriazol-1-yl)carbamate is sourced from PubChem (CID 71192391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).