benzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate

C11H17N5O2 — CID 138059308

IUPACbenzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate
SMILESO=C(NCCC1NNNN1)OCc1ccccc1
InChIInChI=1S/C11H17N5O2/c17-11(12-7-6-10-13-15-16-14-10)18-8-9-4-2-1-3-5-9/h1-5,10,13-16H,6-8H2,(H,12,17)
InChIKeySOUSXVFQXQQHPO-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.25
Rot. Bonds5

About benzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate

benzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate (PubChem CID 138059308) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is benzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate
PubChem CID138059308
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Namebenzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate
SMILESO=C(NCCC1NNNN1)OCc1ccccc1
InChIInChI=1S/C11H17N5O2/c17-11(12-7-6-10-13-15-16-14-10)18-8-9-4-2-1-3-5-9/h1-5,10,13-16H,6-8H2,(H,12,17)
InChIKeySOUSXVFQXQQHPO-UHFFFAOYSA-N
XLogP-0.25
TPSA86.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate (CID 138059308) is benzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate is O=C(NCCC1NNNN1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate?
The InChIKey is SOUSXVFQXQQHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c17-11(12-7-6-10-13-15-16-14-10)18-8-9-4-2-1-3-5-9/h1-5,10,13-16H,6-8H2,(H,12,17).
What are the key properties of benzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate?
benzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate has a molecular weight of 251.29 g/mol, XLogP of -0.25, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(tetrazolidin-5-yl)ethyl]carbamate is sourced from PubChem (CID 138059308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).