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

C14H20N4O2 — CID 10754940

IUPACtert-butyl N-(7-propylbenzotriazol-1-yl)carbamate
SMILESCCCc1cccc2nnn(NC(=O)OC(C)(C)C)c12
InChIInChI=1S/C14H20N4O2/c1-5-7-10-8-6-9-11-12(10)18(17-15-11)16-13(19)20-14(2,3)4/h6,8-9H,5,7H2,1-4H3,(H,16,19)
InChIKeyDCLWFBIGZKRQAS-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.86
Rot. Bonds3

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

tert-butyl N-(7-propylbenzotriazol-1-yl)carbamate (PubChem CID 10754940) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl N-(7-propylbenzotriazol-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-propylbenzotriazol-1-yl)carbamate
PubChem CID10754940
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nametert-butyl N-(7-propylbenzotriazol-1-yl)carbamate
SMILESCCCc1cccc2nnn(NC(=O)OC(C)(C)C)c12
InChIInChI=1S/C14H20N4O2/c1-5-7-10-8-6-9-11-12(10)18(17-15-11)16-13(19)20-14(2,3)4/h6,8-9H,5,7H2,1-4H3,(H,16,19)
InChIKeyDCLWFBIGZKRQAS-UHFFFAOYSA-N
XLogP2.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-propylbenzotriazol-1-yl)carbamate?
The IUPAC name of tert-butyl N-(7-propylbenzotriazol-1-yl)carbamate (CID 10754940) is tert-butyl N-(7-propylbenzotriazol-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-propylbenzotriazol-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-propylbenzotriazol-1-yl)carbamate is CCCc1cccc2nnn(NC(=O)OC(C)(C)C)c12.
What is the InChIKey of tert-butyl N-(7-propylbenzotriazol-1-yl)carbamate?
The InChIKey is DCLWFBIGZKRQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-5-7-10-8-6-9-11-12(10)18(17-15-11)16-13(19)20-14(2,3)4/h6,8-9H,5,7H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-(7-propylbenzotriazol-1-yl)carbamate?
tert-butyl N-(7-propylbenzotriazol-1-yl)carbamate has a molecular weight of 276.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-propylbenzotriazol-1-yl)carbamate is sourced from PubChem (CID 10754940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).