1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole

C8H14N4O — CID 167946537

IUPAC1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole
SMILESCCO[C@@H]1CCC[C@H]1n1cnnn1
InChIInChI=1S/C8H14N4O/c1-2-13-8-5-3-4-7(8)12-6-9-10-11-12/h6-8H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyOOQXGEZXQBNQBF-HTQZYQBOSA-N
MW182.23 g/mol
LogP0.80
Rot. Bonds3

About 1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole

1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole (PubChem CID 167946537) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole.

Molecular Properties

Compound Name1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole
PubChem CID167946537
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole
SMILESCCO[C@@H]1CCC[C@H]1n1cnnn1
InChIInChI=1S/C8H14N4O/c1-2-13-8-5-3-4-7(8)12-6-9-10-11-12/h6-8H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyOOQXGEZXQBNQBF-HTQZYQBOSA-N
XLogP0.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole?
The IUPAC name of 1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole (CID 167946537) is 1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole.
What is the SMILES notation for 1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole?
The canonical SMILES for 1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole is CCO[C@@H]1CCC[C@H]1n1cnnn1.
What is the InChIKey of 1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole?
The InChIKey is OOQXGEZXQBNQBF-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-13-8-5-3-4-7(8)12-6-9-10-11-12/h6-8H,2-5H2,1H3/t7-,8-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole?
1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole has a molecular weight of 182.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole is sourced from PubChem (CID 167946537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).