1-[(E)-benzylideneamino]tetrazol-5-amine

C8H8N6 — CID 6859278

IUPAC1-[(E)-benzylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1ccccc1
InChIInChI=1S/C8H8N6/c9-8-11-12-13-14(8)10-6-7-4-2-1-3-5-7/h1-6H,(H2,9,11,13)/b10-6+
InChIKeyRZJIJGAXFQVTRK-UXBLZVDNSA-N
MW188.19 g/mol
LogP0.14
Rot. Bonds2

About 1-[(E)-benzylideneamino]tetrazol-5-amine

1-[(E)-benzylideneamino]tetrazol-5-amine (PubChem CID 6859278) has the molecular formula C8H8N6 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-[(E)-benzylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-benzylideneamino]tetrazol-5-amine
PubChem CID6859278
Molecular FormulaC8H8N6
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name1-[(E)-benzylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1ccccc1
InChIInChI=1S/C8H8N6/c9-8-11-12-13-14(8)10-6-7-4-2-1-3-5-7/h1-6H,(H2,9,11,13)/b10-6+
InChIKeyRZJIJGAXFQVTRK-UXBLZVDNSA-N
XLogP0.14
TPSA81.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-benzylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-benzylideneamino]tetrazol-5-amine (CID 6859278) is 1-[(E)-benzylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-benzylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-benzylideneamino]tetrazol-5-amine is Nc1nnnn1/N=C/c1ccccc1.
What is the InChIKey of 1-[(E)-benzylideneamino]tetrazol-5-amine?
The InChIKey is RZJIJGAXFQVTRK-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H8N6/c9-8-11-12-13-14(8)10-6-7-4-2-1-3-5-7/h1-6H,(H2,9,11,13)/b10-6+.
What are the key properties of 1-[(E)-benzylideneamino]tetrazol-5-amine?
1-[(E)-benzylideneamino]tetrazol-5-amine has a molecular weight of 188.19 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-benzylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6859278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).