2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol

C15H14N6O2 — CID 135951033

IUPAC2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/n2nnnc2Nc2ccccc2)c1O
InChIInChI=1S/C15H14N6O2/c1-23-13-9-5-6-11(14(13)22)10-16-21-15(18-19-20-21)17-12-7-3-2-4-8-12/h2-10,22H,1H3,(H,17,18,20)/b16-10+
InChIKeyJBWOVZHUJQKSCW-MHWRWJLKSA-N
MW310.32 g/mol
LogP2.01
Rot. Bonds5

About 2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol

2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol (PubChem CID 135951033) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol
PubChem CID135951033
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/n2nnnc2Nc2ccccc2)c1O
InChIInChI=1S/C15H14N6O2/c1-23-13-9-5-6-11(14(13)22)10-16-21-15(18-19-20-21)17-12-7-3-2-4-8-12/h2-10,22H,1H3,(H,17,18,20)/b16-10+
InChIKeyJBWOVZHUJQKSCW-MHWRWJLKSA-N
XLogP2.01
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine
CID 23877559
N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 1224695
2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol
CID 136832260
2-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-6-methoxyphenol
CID 135675794
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
CID 6164392
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 177385575
2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
CID 135774276
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 948077
2-[(Z)-[[4-anilino-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 136700611

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol (CID 135951033) is 2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol is COc1cccc(/C=N/n2nnnc2Nc2ccccc2)c1O.
What is the InChIKey of 2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol?
The InChIKey is JBWOVZHUJQKSCW-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-23-13-9-5-6-11(14(13)22)10-16-21-15(18-19-20-21)17-12-7-3-2-4-8-12/h2-10,22H,1H3,(H,17,18,20)/b16-10+.
What are the key properties of 2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol?
2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol has a molecular weight of 310.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135951033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).