1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine

C9H8Br2N6O — CID 6104723

IUPAC1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1c(Br)cc(Br)cc1/C=N\n1nnnc1N
InChIInChI=1S/C9H8Br2N6O/c1-18-8-5(2-6(10)3-7(8)11)4-13-17-9(12)14-15-16-17/h2-4H,1H3,(H2,12,14,16)/b13-4-
InChIKeyWBPXXNRNHTVCKA-PQMHYQBVSA-N
MW376.01 g/mol
LogP1.67
Rot. Bonds3

About 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine

1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 6104723) has the molecular formula C9H8Br2N6O and a molecular weight of 376.01 g/mol. Its IUPAC name is 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID6104723
Molecular FormulaC9H8Br2N6O
Molecular Weight376.01 g/mol
Exact Mass373.91
IUPAC Name1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1c(Br)cc(Br)cc1/C=N\n1nnnc1N
InChIInChI=1S/C9H8Br2N6O/c1-18-8-5(2-6(10)3-7(8)11)4-13-17-9(12)14-15-16-17/h2-4H,1H3,(H2,12,14,16)/b13-4-
InChIKeyWBPXXNRNHTVCKA-PQMHYQBVSA-N
XLogP1.67
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.01
LogP ≤ 51.67
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-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine (CID 6104723) is 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine is COc1c(Br)cc(Br)cc1/C=N\n1nnnc1N.
What is the InChIKey of 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is WBPXXNRNHTVCKA-PQMHYQBVSA-N. The full InChI is InChI=1S/C9H8Br2N6O/c1-18-8-5(2-6(10)3-7(8)11)4-13-17-9(12)14-15-16-17/h2-4H,1H3,(H2,12,14,16)/b13-4-.
What are the key properties of 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine?
1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 376.01 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6104723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).