1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine

C9H9BrN6O — CID 6858628

IUPAC1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1ccc(Br)cc1/C=N/n1nnnc1N
InChIInChI=1S/C9H9BrN6O/c1-17-8-3-2-7(10)4-6(8)5-12-16-9(11)13-14-15-16/h2-5H,1H3,(H2,11,13,15)/b12-5+
InChIKeyNLSNDPDBPTZKQK-LFYBBSHMSA-N
MW297.12 g/mol
LogP0.91
Rot. Bonds3

About 1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine

1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 6858628) has the molecular formula C9H9BrN6O and a molecular weight of 297.12 g/mol. Its IUPAC name is 1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID6858628
Molecular FormulaC9H9BrN6O
Molecular Weight297.12 g/mol
Exact Mass296.00
IUPAC Name1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1ccc(Br)cc1/C=N/n1nnnc1N
InChIInChI=1S/C9H9BrN6O/c1-17-8-3-2-7(10)4-6(8)5-12-16-9(11)13-14-15-16/h2-5H,1H3,(H2,11,13,15)/b12-5+
InChIKeyNLSNDPDBPTZKQK-LFYBBSHMSA-N
XLogP0.91
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 50.91
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)-(3-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859215
{2-[(5-Amino-tetrazol-1-ylimino)-methyl]-phenoxy}-acetonitrile
CID 9592841
2-{[(5-amino-1H-tetraazol-1-yl)imino]methyl}-4-bromophenol
CID 135504321
N-[(E)-(5-bromo-2-methoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 5341189
1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858588
1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6872963
(2E)-2-[2-(benzyloxy)-5-bromobenzylidene]hydrazinecarboximidamide
CID 16728610
N-(5-amino-1H-tetraazol-1-yl)-N-(2-isopropoxybenzylidene)amine
CID 6858669
(E)-1-(5-bromo-2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 9586607
N~1~-(2,5-dimethoxybenzylidene)-1H-tetrazole-1,5-diamine
CID 5340886
2-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]guanidine
CID 9565799

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine (CID 6858628) is 1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine is COc1ccc(Br)cc1/C=N/n1nnnc1N.
What is the InChIKey of 1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is NLSNDPDBPTZKQK-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H9BrN6O/c1-17-8-3-2-7(10)4-6(8)5-12-16-9(11)13-14-15-16/h2-5H,1H3,(H2,11,13,15)/b12-5+.
What are the key properties of 1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine?
1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 297.12 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6858628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).