1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine

C15H13ClN6O — CID 6858757

IUPAC1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN6O/c16-14-7-2-1-5-12(14)10-23-13-6-3-4-11(8-13)9-18-22-15(17)19-20-21-22/h1-9H,10H2,(H2,17,19,21)/b18-9+
InChIKeyMZIQYGXEYOZXSW-GIJQJNRQSA-N
MW328.76 g/mol
LogP2.37
Rot. Bonds5

About 1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine

1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine (PubChem CID 6858757) has the molecular formula C15H13ClN6O and a molecular weight of 328.76 g/mol. Its IUPAC name is 1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
PubChem CID6858757
Molecular FormulaC15H13ClN6O
Molecular Weight328.76 g/mol
Exact Mass328.08
IUPAC Name1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN6O/c16-14-7-2-1-5-12(14)10-23-13-6-3-4-11(8-13)9-18-22-15(17)19-20-21-22/h1-9H,10H2,(H2,17,19,21)/b18-9+
InChIKeyMZIQYGXEYOZXSW-GIJQJNRQSA-N
XLogP2.37
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-(2-ethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858679
N-(5-amino-1H-tetraazol-1-yl)-N-{2-[(4-chlorobenzyl)oxy]benzylidene}amine
CID 6858755
1-[(E)-(3-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859215
1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 5350505
N-(5-amino-1H-tetraazol-1-yl)-N-{2-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}amine
CID 6859788
N''-{4-[(2-chlorobenzyl)oxy]benzylidene}carbonohydrazonic diamide
CID 9586311
2-[[2-[(2-Chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 44522071
1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6872963
1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
CID 6859930
N~1~-{3,5-dichloro-2-[(2,4-dichlorobenzyl)oxy]benzylidene}-1H-tetrazole-1,5-diamine
CID 6860102
N~1~-[(E)-(3-phenoxyphenyl)methylidene]-1H-tetrazole-1,5-diamine
CID 6889088
N~1~-[(E)-{4-[(2,4-dichlorobenzyl)oxy]-3-methoxyphenyl}methylidene]-1H-tetrazole-1,5-diamine
CID 6859497

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine (CID 6858757) is 1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine is Nc1nnnn1/N=C/c1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of 1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
The InChIKey is MZIQYGXEYOZXSW-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H13ClN6O/c16-14-7-2-1-5-12(14)10-23-13-6-3-4-11(8-13)9-18-22-15(17)19-20-21-22/h1-9H,10H2,(H2,17,19,21)/b18-9+.
What are the key properties of 1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine has a molecular weight of 328.76 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6858757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).