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

C9H10N6O2 — CID 135589670

IUPAC2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/n2nnnc2N)c1O
InChIInChI=1S/C9H10N6O2/c1-17-7-4-2-3-6(8(7)16)5-11-15-9(10)12-13-14-15/h2-5,16H,1H3,(H2,10,12,14)/b11-5+
InChIKeyUMZQLVUWWATCST-VZUCSPMQSA-N
MW234.22 g/mol
LogP-0.15
Rot. Bonds3

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

2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol (PubChem CID 135589670) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol
PubChem CID135589670
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/n2nnnc2N)c1O
InChIInChI=1S/C9H10N6O2/c1-17-7-4-2-3-6(8(7)16)5-11-15-9(10)12-13-14-15/h2-5,16H,1H3,(H2,10,12,14)/b11-5+
InChIKeyUMZQLVUWWATCST-VZUCSPMQSA-N
XLogP-0.15
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.15
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'}

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

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

Launch Full Analysis

Related Compounds

Hydrazinecarbothioamide, 2-[(2-hydroxy-3-methoxyphenyl)methylene]-
CID 135472436
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
1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858630
5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
CID 6859201
1-[(E)-(3-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859215
1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
CID 5343953
1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 5340791
N*1*-(3,4-Diethoxy-benzylidene)-tetrazole-1,5-diamine
CID 6858680
Acetic acid 4-[(5-amino-tetrazol-1-ylimino)-methyl]-2-methoxy-phenyl ester
CID 9591670
N~1~-{(1E)-[4-(allyloxy)-3-methoxyphenyl]methylene}-1H-tetrazole-1,5-diamine
CID 9656152
4-{(Z)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-2-ethoxyphenol
CID 135647026

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol (CID 135589670) is 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol is COc1cccc(/C=N/n2nnnc2N)c1O.
What is the InChIKey of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol?
The InChIKey is UMZQLVUWWATCST-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-17-7-4-2-3-6(8(7)16)5-11-15-9(10)12-13-14-15/h2-5,16H,1H3,(H2,10,12,14)/b11-5+.
What are the key properties of 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol?
2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol has a molecular weight of 234.22 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135589670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).