2-[2-(2H-tetrazol-5-yl)ethoxy]aniline

C9H11N5O — CID 82470088

IUPAC2-[2-(2H-tetrazol-5-yl)ethoxy]aniline
SMILESNc1ccccc1OCCc1nn[nH]n1
InChIInChI=1S/C9H11N5O/c10-7-3-1-2-4-8(7)15-6-5-9-11-13-14-12-9/h1-4H,5-6,10H2,(H,11,12,13,14)
InChIKeyZQKBQIVOZBTLKG-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.40
Rot. Bonds4

About 2-[2-(2H-tetrazol-5-yl)ethoxy]aniline

2-[2-(2H-tetrazol-5-yl)ethoxy]aniline (PubChem CID 82470088) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-[2-(2H-tetrazol-5-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(2H-tetrazol-5-yl)ethoxy]aniline
PubChem CID82470088
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-[2-(2H-tetrazol-5-yl)ethoxy]aniline
SMILESNc1ccccc1OCCc1nn[nH]n1
InChIInChI=1S/C9H11N5O/c10-7-3-1-2-4-8(7)15-6-5-9-11-13-14-12-9/h1-4H,5-6,10H2,(H,11,12,13,14)
InChIKeyZQKBQIVOZBTLKG-UHFFFAOYSA-N
XLogP0.40
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2H-tetrazol-5-yl)ethoxy]aniline?
The IUPAC name of 2-[2-(2H-tetrazol-5-yl)ethoxy]aniline (CID 82470088) is 2-[2-(2H-tetrazol-5-yl)ethoxy]aniline.
What is the SMILES notation for 2-[2-(2H-tetrazol-5-yl)ethoxy]aniline?
The canonical SMILES for 2-[2-(2H-tetrazol-5-yl)ethoxy]aniline is Nc1ccccc1OCCc1nn[nH]n1.
What is the InChIKey of 2-[2-(2H-tetrazol-5-yl)ethoxy]aniline?
The InChIKey is ZQKBQIVOZBTLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-7-3-1-2-4-8(7)15-6-5-9-11-13-14-12-9/h1-4H,5-6,10H2,(H,11,12,13,14).
What are the key properties of 2-[2-(2H-tetrazol-5-yl)ethoxy]aniline?
2-[2-(2H-tetrazol-5-yl)ethoxy]aniline has a molecular weight of 205.22 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2H-tetrazol-5-yl)ethoxy]aniline is sourced from PubChem (CID 82470088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).