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

C10H12N6O2 — CID 135647026

IUPAC4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
SMILESCCOc1cc(/C=N\n2nnnc2N)ccc1O
InChIInChI=1S/C10H12N6O2/c1-2-18-9-5-7(3-4-8(9)17)6-12-16-10(11)13-14-15-16/h3-6,17H,2H2,1H3,(H2,11,13,15)/b12-6-
InChIKeyVQHUAVVKXJVLAS-SDQBBNPISA-N
MW248.25 g/mol
LogP0.24
Rot. Bonds4

About 4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol

4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol (PubChem CID 135647026) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
PubChem CID135647026
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
SMILESCCOc1cc(/C=N\n2nnnc2N)ccc1O
InChIInChI=1S/C10H12N6O2/c1-2-18-9-5-7(3-4-8(9)17)6-12-16-10(11)13-14-15-16/h3-6,17H,2H2,1H3,(H2,11,13,15)/b12-6-
InChIKeyVQHUAVVKXJVLAS-SDQBBNPISA-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': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Ethoxy-4-((4H-1,2,4-triazol-4-ylimino)methyl)phenol
CID 135449248
1-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859182
(2-{[(5-amino-1H-tetraazol-1-yl)imino]methyl}-6-methoxyphenoxy)acetonitrile
CID 6873681
Hydrazinecarbothioamide, 2-[(4-hydroxy-3-methoxyphenyl)methylene]-
CID 135434842
2-Methoxy-4-((4H-1,2,4-triazol-4-ylimino)methyl)phenol
CID 135421763
1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858630
5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
CID 6859201
3-ethoxy-4-hydroxybenzaldehyde (4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazone
CID 135829845
3-Hydroxy-4-Methoxybenzaldehyde Thiosemicarbazone
CID 6870649
1-[(E)-(3-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859215
2-(4-{[(5-amino-1H-tetraazol-1-yl)imino]methyl}-2-methoxyphenoxy)acetamide
CID 6858847
2-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-6-methoxyphenol
CID 135589670

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol?
The IUPAC name of 4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol (CID 135647026) is 4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol is CCOc1cc(/C=N\n2nnnc2N)ccc1O.
What is the InChIKey of 4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol?
The InChIKey is VQHUAVVKXJVLAS-SDQBBNPISA-N. The full InChI is InChI=1S/C10H12N6O2/c1-2-18-9-5-7(3-4-8(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 4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol?
4-[(Z)-(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 4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol is sourced from PubChem (CID 135647026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).