tert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate

C13H18N4O2 — CID 10730190

IUPACtert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate
SMILESCCc1cccc2nnn(NC(=O)OC(C)(C)C)c12
InChIInChI=1S/C13H18N4O2/c1-5-9-7-6-8-10-11(9)17(16-14-10)15-12(18)19-13(2,3)4/h6-8H,5H2,1-4H3,(H,15,18)
InChIKeyIMDRXXSBMMLZAE-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.47
Rot. Bonds2

About tert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate

tert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate (PubChem CID 10730190) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is tert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate
PubChem CID10730190
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Nametert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate
SMILESCCc1cccc2nnn(NC(=O)OC(C)(C)C)c12
InChIInChI=1S/C13H18N4O2/c1-5-9-7-6-8-10-11(9)17(16-14-10)15-12(18)19-13(2,3)4/h6-8H,5H2,1-4H3,(H,15,18)
InChIKeyIMDRXXSBMMLZAE-UHFFFAOYSA-N
XLogP2.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate?
The IUPAC name of tert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate (CID 10730190) is tert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate is CCc1cccc2nnn(NC(=O)OC(C)(C)C)c12.
What is the InChIKey of tert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate?
The InChIKey is IMDRXXSBMMLZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-5-9-7-6-8-10-11(9)17(16-14-10)15-12(18)19-13(2,3)4/h6-8H,5H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate?
tert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate has a molecular weight of 262.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-ethylbenzotriazol-1-yl)carbamate is sourced from PubChem (CID 10730190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).