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

C15H12Cl2N6O — CID 6859930

IUPAC1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N6O/c16-12-6-5-11(13(17)7-12)9-24-14-4-2-1-3-10(14)8-19-23-15(18)20-21-22-23/h1-8H,9H2,(H2,18,20,22)/b19-8+
InChIKeyQUVAZGORKGQISZ-UFWORHAWSA-N
MW363.21 g/mol
LogP3.02
Rot. Bonds5

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

1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine (PubChem CID 6859930) has the molecular formula C15H12Cl2N6O and a molecular weight of 363.21 g/mol. Its IUPAC name is 1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
PubChem CID6859930
Molecular FormulaC15H12Cl2N6O
Molecular Weight363.21 g/mol
Exact Mass362.04
IUPAC Name1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N6O/c16-12-6-5-11(13(17)7-12)9-24-14-4-2-1-3-10(14)8-19-23-15(18)20-21-22-23/h1-8H,9H2,(H2,18,20,22)/b19-8+
InChIKeyQUVAZGORKGQISZ-UFWORHAWSA-N
XLogP3.02
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.02
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

(Z)-1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 7728533
1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
CID 1227621
2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168593045
4-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
CID 7728552
(1R,2R,6R,7R)-4-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 126153853
(1R,2S,6R,7R)-4-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124536060
2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 5426901
1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine
CID 3517889
6-bromo-3-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126288391
1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630234
2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379840
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline
CID 96881846

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine (CID 6859930) is 1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine is Nc1nnnn1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
The InChIKey is QUVAZGORKGQISZ-UFWORHAWSA-N. The full InChI is InChI=1S/C15H12Cl2N6O/c16-12-6-5-11(13(17)7-12)9-24-14-4-2-1-3-10(14)8-19-23-15(18)20-21-22-23/h1-8H,9H2,(H2,18,20,22)/b19-8+.
What are the key properties of 1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine has a molecular weight of 363.21 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6859930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).