N-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine

C8H7FN6 — CID 21157311

IUPACN-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine
SMILESFc1ccc(/C=N/Nc2nn[nH]n2)cc1
InChIInChI=1S/C8H7FN6/c9-7-3-1-6(2-4-7)5-10-11-8-12-14-15-13-8/h1-5H,(H2,11,12,13,14,15)/b10-5+
InChIKeyMOWYPARLFKVYHB-BJMVGYQFSA-N
MW206.18 g/mol
LogP0.78
Rot. Bonds3

About N-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine

N-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine (PubChem CID 21157311) has the molecular formula C8H7FN6 and a molecular weight of 206.18 g/mol. Its IUPAC name is N-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine
PubChem CID21157311
Molecular FormulaC8H7FN6
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC NameN-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine
SMILESFc1ccc(/C=N/Nc2nn[nH]n2)cc1
InChIInChI=1S/C8H7FN6/c9-7-3-1-6(2-4-7)5-10-11-8-12-14-15-13-8/h1-5H,(H2,11,12,13,14,15)/b10-5+
InChIKeyMOWYPARLFKVYHB-BJMVGYQFSA-N
XLogP0.78
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine?
The IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine (CID 21157311) is N-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine is Fc1ccc(/C=N/Nc2nn[nH]n2)cc1.
What is the InChIKey of N-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine?
The InChIKey is MOWYPARLFKVYHB-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H7FN6/c9-7-3-1-6(2-4-7)5-10-11-8-12-14-15-13-8/h1-5H,(H2,11,12,13,14,15)/b10-5+.
What are the key properties of N-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine?
N-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine has a molecular weight of 206.18 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-fluorophenyl)methylideneamino]-2H-tetrazol-5-amine is sourced from PubChem (CID 21157311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).