4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol

C10H11N7O4 — CID 135685288

IUPAC4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol
SMILESCCOc1cc(/C=N/n2nnnc2N)cc([N+](=O)[O-])c1O
InChIInChI=1S/C10H11N7O4/c1-2-21-8-4-6(3-7(9(8)18)17(19)20)5-12-16-10(11)13-14-15-16/h3-5,18H,2H2,1H3,(H2,11,13,15)/b12-5+
InChIKeyZHQBWYRNLPJDKA-LFYBBSHMSA-N
MW293.24 g/mol
LogP0.15
Rot. Bonds5

About 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol

4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol (PubChem CID 135685288) has the molecular formula C10H11N7O4 and a molecular weight of 293.24 g/mol. Its IUPAC name is 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol.

Molecular Properties

Compound Name4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol
PubChem CID135685288
Molecular FormulaC10H11N7O4
Molecular Weight293.24 g/mol
Exact Mass293.09
IUPAC Name4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol
SMILESCCOc1cc(/C=N/n2nnnc2N)cc([N+](=O)[O-])c1O
InChIInChI=1S/C10H11N7O4/c1-2-21-8-4-6(3-7(9(8)18)17(19)20)5-12-16-10(11)13-14-15-16/h3-5,18H,2H2,1H3,(H2,11,13,15)/b12-5+
InChIKeyZHQBWYRNLPJDKA-LFYBBSHMSA-N
XLogP0.15
TPSA154.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol 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

2-ethoxy-4-[(Z)-hydroxyiminomethyl]-6-nitrophenol
CID 136911315
1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6114126
1-[[4-(diethylamino)-3-nitrophenyl]methylideneamino]tetrazol-5-amine
CID 4116677
1-[[5-(4-ethoxy-3-nitrophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine
CID 23903667
2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 137059492
2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol
CID 137059464
1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 23849524
2-[carboxymethyl-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]amino]acetic acid
CID 136786717
methyl N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 135816495
4-[(E)-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]iminomethyl]-2-ethoxy-6-nitrophenol
CID 135667254
3-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 135716703
2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 135891680

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol?
The IUPAC name of 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol (CID 135685288) is 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol.
What is the SMILES notation for 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol?
The canonical SMILES for 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol is CCOc1cc(/C=N/n2nnnc2N)cc([N+](=O)[O-])c1O.
What is the InChIKey of 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol?
The InChIKey is ZHQBWYRNLPJDKA-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H11N7O4/c1-2-21-8-4-6(3-7(9(8)18)17(19)20)5-12-16-10(11)13-14-15-16/h3-5,18H,2H2,1H3,(H2,11,13,15)/b12-5+.
What are the key properties of 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol?
4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol has a molecular weight of 293.24 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol is sourced from PubChem (CID 135685288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).