ethyl N-(2-methylbenzotriazol-5-yl)carbamate

C10H12N4O2 — CID 6482211

IUPACethyl N-(2-methylbenzotriazol-5-yl)carbamate
SMILESCCOC(=O)Nc1ccc2nn(C)nc2c1
InChIInChI=1S/C10H12N4O2/c1-3-16-10(15)11-7-4-5-8-9(6-7)13-14(2)12-8/h4-6H,3H2,1-2H3,(H,11,15)
InChIKeyNNYILEATOTUDRW-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.54
Rot. Bonds2

About ethyl N-(2-methylbenzotriazol-5-yl)carbamate

ethyl N-(2-methylbenzotriazol-5-yl)carbamate (PubChem CID 6482211) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl N-(2-methylbenzotriazol-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methylbenzotriazol-5-yl)carbamate
PubChem CID6482211
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Nameethyl N-(2-methylbenzotriazol-5-yl)carbamate
SMILESCCOC(=O)Nc1ccc2nn(C)nc2c1
InChIInChI=1S/C10H12N4O2/c1-3-16-10(15)11-7-4-5-8-9(6-7)13-14(2)12-8/h4-6H,3H2,1-2H3,(H,11,15)
InChIKeyNNYILEATOTUDRW-UHFFFAOYSA-N
XLogP1.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methylbenzotriazol-5-yl)carbamate?
The IUPAC name of ethyl N-(2-methylbenzotriazol-5-yl)carbamate (CID 6482211) is ethyl N-(2-methylbenzotriazol-5-yl)carbamate.
What is the SMILES notation for ethyl N-(2-methylbenzotriazol-5-yl)carbamate?
The canonical SMILES for ethyl N-(2-methylbenzotriazol-5-yl)carbamate is CCOC(=O)Nc1ccc2nn(C)nc2c1.
What is the InChIKey of ethyl N-(2-methylbenzotriazol-5-yl)carbamate?
The InChIKey is NNYILEATOTUDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-3-16-10(15)11-7-4-5-8-9(6-7)13-14(2)12-8/h4-6H,3H2,1-2H3,(H,11,15).
What are the key properties of ethyl N-(2-methylbenzotriazol-5-yl)carbamate?
ethyl N-(2-methylbenzotriazol-5-yl)carbamate has a molecular weight of 220.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methylbenzotriazol-5-yl)carbamate is sourced from PubChem (CID 6482211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).