1-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine

C15H13ClN6O — CID 6858755

IUPAC1-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN6O/c16-13-7-5-11(6-8-13)10-23-14-4-2-1-3-12(14)9-18-22-15(17)19-20-21-22/h1-9H,10H2,(H2,17,19,21)/b18-9+
InChIKeyWNSRZSKBSJWNKX-GIJQJNRQSA-N
MW328.76 g/mol
LogP2.37
Rot. Bonds5

About 1-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine

1-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine (PubChem CID 6858755) has the molecular formula C15H13ClN6O and a molecular weight of 328.76 g/mol. Its IUPAC name is 1-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
PubChem CID6858755
Molecular FormulaC15H13ClN6O
Molecular Weight328.76 g/mol
Exact Mass328.08
IUPAC Name1-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN6O/c16-13-7-5-11(6-8-13)10-23-14-4-2-1-3-12(14)9-18-22-15(17)19-20-21-22/h1-9H,10H2,(H2,17,19,21)/b18-9+
InChIKeyWNSRZSKBSJWNKX-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
1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 5350505
N''-{4-[(4-chlorobenzyl)oxy]benzylidene}carbonohydrazonic diamide
CID 5942255
N-(5-amino-1H-tetraazol-1-yl)-N-{3-[(2-chlorobenzyl)oxy]benzylidene}amine
CID 6858757
N-(5-amino-1H-tetraazol-1-yl)-N-{2-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}amine
CID 6859788
[[2-(3-Chlorobenzyl)oxybenzylidene]amino]thiourea
CID 6876815
(2E)-2-{5-chloro-2-[(4-chlorobenzyl)oxy]benzylidene}hydrazinecarboximidamide
CID 16728629
2-[[2-[(2-Chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 44522071
{2-[(5-Amino-tetrazol-1-ylimino)-methyl]-phenoxy}-acetonitrile
CID 9592841
1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858588
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

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine (CID 6858755) is 1-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine is Nc1nnnn1/N=C/c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
The InChIKey is WNSRZSKBSJWNKX-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H13ClN6O/c16-13-7-5-11(6-8-13)10-23-14-4-2-1-3-12(14)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)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
1-[(E)-[2-[(4-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)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6858755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).