1-[(E)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine

C8H7FN6 — CID 6859174

IUPAC1-[(E)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1ccc(F)cc1
InChIInChI=1S/C8H7FN6/c9-7-3-1-6(2-4-7)5-11-15-8(10)12-13-14-15/h1-5H,(H2,10,12,14)/b11-5+
InChIKeyPXXRYIMTHDVQTN-VZUCSPMQSA-N
MW206.18 g/mol
LogP0.28
Rot. Bonds2

About 1-[(E)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine

1-[(E)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine (PubChem CID 6859174) has the molecular formula C8H7FN6 and a molecular weight of 206.18 g/mol. Its IUPAC name is 1-[(E)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine
PubChem CID6859174
Molecular FormulaC8H7FN6
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Name1-[(E)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1ccc(F)cc1
InChIInChI=1S/C8H7FN6/c9-7-3-1-6(2-4-7)5-11-15-8(10)12-13-14-15/h1-5H,(H2,10,12,14)/b11-5+
InChIKeyPXXRYIMTHDVQTN-VZUCSPMQSA-N
XLogP0.28
TPSA81.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 50.28
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)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine (CID 6859174) is 1-[(E)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine is Nc1nnnn1/N=C/c1ccc(F)cc1.
What is the InChIKey of 1-[(E)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is PXXRYIMTHDVQTN-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H7FN6/c9-7-3-1-6(2-4-7)5-11-15-8(10)12-13-14-15/h1-5H,(H2,10,12,14)/b11-5+.
What are the key properties of 1-[(E)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine?
1-[(E)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 206.18 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-fluorophenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6859174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).