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2-(4-amino-2-(5-cyclopropyl-1H-tetrazol-1-yl)phenoxy)ethan-1-ol

HCID 86704530
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc(OCCO)c(-n2nnnc2C2CC2)c1
InChIKey
VJIKDXZFZHUDPO-UHFFFAOYSA-N
Molecular formula
C12H15N5O2
Average molar mass
261.28 g/mol

Names & identifiers

Preferred name
2-(4-amino-2-(5-cyclopropyl-1H-tetrazol-1-yl)phenoxy)ethan-1-ol
IUPAC
2-[4-amino-2-(5-cyclopropyltetrazol-1-yl)phenoxy]ethanol

Names & synonyms

SCHEMBL15321891VJIKDXZFZHUDPO-UHFFFAOYSA-N2-(4-amino-2-(5-cyclopropyl-1H-tetrazol-1-yl)phenoxy)ethan-1-ol

Database identifiers

PubChem CID
86704530

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
99.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
302

Related reactions

2 records
New reaction record
HRID 633436 reaction equation
HRID 633436As productuspto-grants-2016_04
HRID 633437 reaction equation
HRID 633437As reactantuspto-grants-2016_04

Compound notes

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