2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol

C8H7ClN6O — CID 135537509

IUPAC2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol
SMILESNc1nnnn1/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C8H7ClN6O/c9-6-1-2-7(16)5(3-6)4-11-15-8(10)12-13-14-15/h1-4,16H,(H2,10,12,14)/b11-4+
InChIKeyWCGJNCYZQXYLMQ-NYYWCZLTSA-N
MW238.64 g/mol
LogP0.50
Rot. Bonds2

About 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol

2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol (PubChem CID 135537509) has the molecular formula C8H7ClN6O and a molecular weight of 238.64 g/mol. Its IUPAC name is 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol
PubChem CID135537509
Molecular FormulaC8H7ClN6O
Molecular Weight238.64 g/mol
Exact Mass238.04
IUPAC Name2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol
SMILESNc1nnnn1/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C8H7ClN6O/c9-6-1-2-7(16)5(3-6)4-11-15-8(10)12-13-14-15/h1-4,16H,(H2,10,12,14)/b11-4+
InChIKeyWCGJNCYZQXYLMQ-NYYWCZLTSA-N
XLogP0.50
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 50.50
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'}

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Related Compounds

1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
CID 6859930
4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2,6-dibromophenol
CID 135765559
4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol
CID 135842388
1-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]tetrazol-5-amine
CID 3626504
1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine
CID 936720
2-[(5-methyltetrazol-1-yl)iminomethyl]phenol
CID 173379410
1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6104723
1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine
CID 21214124
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine
CID 5409747
1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine
CID 662413
4-[(5-aminotetrazol-1-yl)iminomethyl]-6-bromo-2-methoxy-3-nitrophenol
CID 5207005

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol?
The IUPAC name of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol (CID 135537509) is 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol.
What is the SMILES notation for 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol?
The canonical SMILES for 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol is Nc1nnnn1/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol?
The InChIKey is WCGJNCYZQXYLMQ-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H7ClN6O/c9-6-1-2-7(16)5(3-6)4-11-15-8(10)12-13-14-15/h1-4,16H,(H2,10,12,14)/b11-4+.
What are the key properties of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol?
2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol has a molecular weight of 238.64 g/mol, XLogP of 0.50, 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-chlorophenol is sourced from PubChem (CID 135537509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).