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

C15H10Cl4N6O — CID 6860102

IUPAC1-[(E)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl4N6O/c16-10-2-1-8(12(18)4-10)7-26-14-9(3-11(17)5-13(14)19)6-21-25-15(20)22-23-24-25/h1-6H,7H2,(H2,20,22,24)/b21-6+
InChIKeyNIQVUGRQBIXLRJ-AERZKKPOSA-N
MW432.10 g/mol
LogP4.33
Rot. Bonds5

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

1-[(E)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine (PubChem CID 6860102) has the molecular formula C15H10Cl4N6O and a molecular weight of 432.10 g/mol. Its IUPAC name is 1-[(E)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
PubChem CID6860102
Molecular FormulaC15H10Cl4N6O
Molecular Weight432.10 g/mol
Exact Mass429.97
IUPAC Name1-[(E)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl4N6O/c16-10-2-1-8(12(18)4-10)7-26-14-9(3-11(17)5-13(14)19)6-21-25-15(20)22-23-24-25/h1-6H,7H2,(H2,20,22,24)/b21-6+
InChIKeyNIQVUGRQBIXLRJ-AERZKKPOSA-N
XLogP4.33
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.10
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine (CID 6860102) is 1-[(E)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine is Nc1nnnn1/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(E)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
The InChIKey is NIQVUGRQBIXLRJ-AERZKKPOSA-N. The full InChI is InChI=1S/C15H10Cl4N6O/c16-10-2-1-8(12(18)4-10)7-26-14-9(3-11(17)5-13(14)19)6-21-25-15(20)22-23-24-25/h1-6H,7H2,(H2,20,22,24)/b21-6+.
What are the key properties of 1-[(E)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine?
1-[(E)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine has a molecular weight of 432.10 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6860102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).