3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline

C14H19N5O2 — CID 81102445

IUPAC3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline
SMILESCCOc1cc(N)cc(-c2nnnn2CC2CCOC2)c1
InChIInChI=1S/C14H19N5O2/c1-2-21-13-6-11(5-12(15)7-13)14-16-17-18-19(14)8-10-3-4-20-9-10/h5-7,10H,2-4,8-9,15H2,1H3
InChIKeyZMTKLVFBINCGHC-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.36
Rot. Bonds5

About 3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline

3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline (PubChem CID 81102445) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline
PubChem CID81102445
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline
SMILESCCOc1cc(N)cc(-c2nnnn2CC2CCOC2)c1
InChIInChI=1S/C14H19N5O2/c1-2-21-13-6-11(5-12(15)7-13)14-16-17-18-19(14)8-10-3-4-20-9-10/h5-7,10H,2-4,8-9,15H2,1H3
InChIKeyZMTKLVFBINCGHC-UHFFFAOYSA-N
XLogP1.36
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline (CID 81102445) is 3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline is CCOc1cc(N)cc(-c2nnnn2CC2CCOC2)c1.
What is the InChIKey of 3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline?
The InChIKey is ZMTKLVFBINCGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-21-13-6-11(5-12(15)7-13)14-16-17-18-19(14)8-10-3-4-20-9-10/h5-7,10H,2-4,8-9,15H2,1H3.
What are the key properties of 3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline?
3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline has a molecular weight of 289.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 81102445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).