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

C10H19N5O2 — CID 67159691

IUPACtert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate
SMILESCCn1nnnc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19N5O2/c1-5-15-8(12-13-14-15)6-7-11-9(16)17-10(2,3)4/h5-7H2,1-4H3,(H,11,16)
InChIKeyIXQRWWAOWARCNC-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.76
Rot. Bonds4

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

tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate (PubChem CID 67159691) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate
PubChem CID67159691
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Nametert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate
SMILESCCn1nnnc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19N5O2/c1-5-15-8(12-13-14-15)6-7-11-9(16)17-10(2,3)4/h5-7H2,1-4H3,(H,11,16)
InChIKeyIXQRWWAOWARCNC-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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Related Compounds

5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid
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ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate
CID 126666304
tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate
CID 47453715
tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
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CID 165117112
CID 165117112
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-propan-2-yltriazole-4-carboxylic acid
CID 103117286
tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
CID 114717278
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
(1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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tert-butyl N-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]carbamate
CID 155286322
tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate
CID 90148596
tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 77231283

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate (CID 67159691) is tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate is CCn1nnnc1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate?
The InChIKey is IXQRWWAOWARCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-5-15-8(12-13-14-15)6-7-11-9(16)17-10(2,3)4/h5-7H2,1-4H3,(H,11,16).
What are the key properties of tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate?
tert-butyl N-[2-(1-ethyltetrazol-5-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-(1-ethyltetrazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 67159691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).