2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline

C12H17N5O2 — CID 81414882

IUPAC2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline
SMILESCCOCCn1nnnc1-c1c(N)cccc1OC
InChIInChI=1S/C12H17N5O2/c1-3-19-8-7-17-12(14-15-16-17)11-9(13)5-4-6-10(11)18-2/h4-6H,3,7-8,13H2,1-2H3
InChIKeyGHQYCIUCWOTCBI-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.97
Rot. Bonds6

About 2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline

2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline (PubChem CID 81414882) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline.

Molecular Properties

Compound Name2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline
PubChem CID81414882
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline
SMILESCCOCCn1nnnc1-c1c(N)cccc1OC
InChIInChI=1S/C12H17N5O2/c1-3-19-8-7-17-12(14-15-16-17)11-9(13)5-4-6-10(11)18-2/h4-6H,3,7-8,13H2,1-2H3
InChIKeyGHQYCIUCWOTCBI-UHFFFAOYSA-N
XLogP0.97
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline?
The IUPAC name of 2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline (CID 81414882) is 2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline.
What is the SMILES notation for 2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline?
The canonical SMILES for 2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline is CCOCCn1nnnc1-c1c(N)cccc1OC.
What is the InChIKey of 2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline?
The InChIKey is GHQYCIUCWOTCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-19-8-7-17-12(14-15-16-17)11-9(13)5-4-6-10(11)18-2/h4-6H,3,7-8,13H2,1-2H3.
What are the key properties of 2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline?
2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline has a molecular weight of 263.30 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline is sourced from PubChem (CID 81414882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).