2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate

C10H19N5O2 — CID 70149127

IUPAC2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate
SMILESCCN(C(=O)ON1CN=NN1)C1CCCCC1
InChIInChI=1S/C10H19N5O2/c1-2-14(9-6-4-3-5-7-9)10(16)17-15-8-11-12-13-15/h9H,2-8H2,1H3,(H,11,13)
InChIKeyQATKRIHBVJSTPG-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.84
Rot. Bonds3

About 2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate

2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate (PubChem CID 70149127) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate.

Molecular Properties

Compound Name2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate
PubChem CID70149127
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate
SMILESCCN(C(=O)ON1CN=NN1)C1CCCCC1
InChIInChI=1S/C10H19N5O2/c1-2-14(9-6-4-3-5-7-9)10(16)17-15-8-11-12-13-15/h9H,2-8H2,1H3,(H,11,13)
InChIKeyQATKRIHBVJSTPG-UHFFFAOYSA-N
XLogP1.84
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate?
The IUPAC name of 2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate (CID 70149127) is 2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate.
What is the SMILES notation for 2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate?
The canonical SMILES for 2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate is CCN(C(=O)ON1CN=NN1)C1CCCCC1.
What is the InChIKey of 2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate?
The InChIKey is QATKRIHBVJSTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-2-14(9-6-4-3-5-7-9)10(16)17-15-8-11-12-13-15/h9H,2-8H2,1H3,(H,11,13).
What are the key properties of 2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate?
2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate has a molecular weight of 241.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydrotetrazol-1-yl N-cyclohexyl-N-ethylcarbamate is sourced from PubChem (CID 70149127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).