tert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate

C10H19N5O2 — CID 68759139

IUPACtert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate
SMILESCCc1nnnn1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19N5O2/c1-5-8-12-13-14-15(8)7-6-11-9(16)17-10(2,3)4/h5-7H2,1-4H3,(H,11,16)
InChIKeyHFQMHKPEMIUENA-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.76
Rot. Bonds4

About tert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate

tert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate (PubChem CID 68759139) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate
PubChem CID68759139
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Nametert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate
SMILESCCc1nnnn1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19N5O2/c1-5-8-12-13-14-15(8)7-6-11-9(16)17-10(2,3)4/h5-7H2,1-4H3,(H,11,16)
InChIKeyHFQMHKPEMIUENA-UHFFFAOYSA-N
XLogP0.76
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate (CID 68759139) is tert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate is CCc1nnnn1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate?
The InChIKey is HFQMHKPEMIUENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-5-8-12-13-14-15(8)7-6-11-9(16)17-10(2,3)4/h5-7H2,1-4H3,(H,11,16).
What are the key properties of tert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate?
tert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate has a molecular weight of 241.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate is sourced from PubChem (CID 68759139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).