1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine

C16H14Cl2N6O2 — CID 6859497

IUPAC1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
SMILESCOc1cc(/C=N/n2nnnc2N)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N6O2/c1-25-15-6-10(8-20-24-16(19)21-22-23-24)2-5-14(15)26-9-11-3-4-12(17)7-13(11)18/h2-8H,9H2,1H3,(H2,19,21,23)/b20-8+
InChIKeyMMNKRGOIZMAMBY-DNTJNYDQSA-N
MW393.23 g/mol
LogP3.03
Rot. Bonds6

About 1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine

1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine (PubChem CID 6859497) has the molecular formula C16H14Cl2N6O2 and a molecular weight of 393.23 g/mol. Its IUPAC name is 1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
PubChem CID6859497
Molecular FormulaC16H14Cl2N6O2
Molecular Weight393.23 g/mol
Exact Mass392.06
IUPAC Name1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
SMILESCOc1cc(/C=N/n2nnnc2N)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N6O2/c1-25-15-6-10(8-20-24-16(19)21-22-23-24)2-5-14(15)26-9-11-3-4-12(17)7-13(11)18/h2-8H,9H2,1H3,(H2,19,21,23)/b20-8+
InChIKeyMMNKRGOIZMAMBY-DNTJNYDQSA-N
XLogP3.03
TPSA100.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine 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 1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine (CID 6859497) is 1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine is COc1cc(/C=N/n2nnnc2N)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine?
The InChIKey is MMNKRGOIZMAMBY-DNTJNYDQSA-N. The full InChI is InChI=1S/C16H14Cl2N6O2/c1-25-15-6-10(8-20-24-16(19)21-22-23-24)2-5-14(15)26-9-11-3-4-12(17)7-13(11)18/h2-8H,9H2,1H3,(H2,19,21,23)/b20-8+.
What are the key properties of 1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine?
1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine has a molecular weight of 393.23 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6859497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).