5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol

C10H12N6O2 — CID 6859201

IUPAC5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
SMILESCCOc1ccc(/C=N/n2nnnc2N)cc1O
InChIInChI=1S/C10H12N6O2/c1-2-18-9-4-3-7(5-8(9)17)6-12-16-10(11)13-14-15-16/h3-6,17H,2H2,1H3,(H2,11,13,15)/b12-6+
InChIKeyFBUPUTUNMNFNGW-WUXMJOGZSA-N
MW248.25 g/mol
LogP0.24
Rot. Bonds4

About 5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol

5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol (PubChem CID 6859201) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol.

Molecular Properties

Compound Name5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
PubChem CID6859201
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
SMILESCCOc1ccc(/C=N/n2nnnc2N)cc1O
InChIInChI=1S/C10H12N6O2/c1-2-18-9-4-3-7(5-8(9)17)6-12-16-10(11)13-14-15-16/h3-6,17H,2H2,1H3,(H2,11,13,15)/b12-6+
InChIKeyFBUPUTUNMNFNGW-WUXMJOGZSA-N
XLogP0.24
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol?
The IUPAC name of 5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol (CID 6859201) is 5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol.
What is the SMILES notation for 5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol?
The canonical SMILES for 5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol is CCOc1ccc(/C=N/n2nnnc2N)cc1O.
What is the InChIKey of 5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol?
The InChIKey is FBUPUTUNMNFNGW-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-2-18-9-4-3-7(5-8(9)17)6-12-16-10(11)13-14-15-16/h3-6,17H,2H2,1H3,(H2,11,13,15)/b12-6+.
What are the key properties of 5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol?
5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol has a molecular weight of 248.25 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol is sourced from PubChem (CID 6859201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).