2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol

C8H6Cl2N6O — CID 135537508

IUPAC2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol
SMILESNc1nnnn1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H6Cl2N6O/c9-5-1-4(7(17)6(10)2-5)3-12-16-8(11)13-14-15-16/h1-3,17H,(H2,11,13,15)/b12-3+
InChIKeyJDWZPNVADVPMTH-KGVSQERTSA-N
MW273.08 g/mol
LogP1.15
Rot. Bonds2

About 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol

2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol (PubChem CID 135537508) has the molecular formula C8H6Cl2N6O and a molecular weight of 273.08 g/mol. Its IUPAC name is 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol.

Molecular Properties

Compound Name2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol
PubChem CID135537508
Molecular FormulaC8H6Cl2N6O
Molecular Weight273.08 g/mol
Exact Mass272.00
IUPAC Name2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol
SMILESNc1nnnn1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H6Cl2N6O/c9-5-1-4(7(17)6(10)2-5)3-12-16-8(11)13-14-15-16/h1-3,17H,(H2,11,13,15)/b12-3+
InChIKeyJDWZPNVADVPMTH-KGVSQERTSA-N
XLogP1.15
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol?
The IUPAC name of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol (CID 135537508) is 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol.
What is the SMILES notation for 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol?
The canonical SMILES for 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol is Nc1nnnn1/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol?
The InChIKey is JDWZPNVADVPMTH-KGVSQERTSA-N. The full InChI is InChI=1S/C8H6Cl2N6O/c9-5-1-4(7(17)6(10)2-5)3-12-16-8(11)13-14-15-16/h1-3,17H,(H2,11,13,15)/b12-3+.
What are the key properties of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol?
2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol has a molecular weight of 273.08 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4,6-dichlorophenol is sourced from PubChem (CID 135537508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).