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

C14H11FN6 — CID 5333424

IUPACN-[(E)-(4-fluorophenyl)methylideneamino]-1-phenyltetrazol-5-amine
SMILESFc1ccc(/C=N/Nc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C14H11FN6/c15-12-8-6-11(7-9-12)10-16-17-14-18-19-20-21(14)13-4-2-1-3-5-13/h1-10H,(H,17,18,20)/b16-10+
InChIKeyWQYPMYJVELQOSF-MHWRWJLKSA-N
MW282.28 g/mol
LogP2.25
Rot. Bonds4

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

N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenyltetrazol-5-amine (PubChem CID 5333424) has the molecular formula C14H11FN6 and a molecular weight of 282.28 g/mol. Its IUPAC name is N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(E)-(4-fluorophenyl)methylideneamino]-1-phenyltetrazol-5-amine
PubChem CID5333424
Molecular FormulaC14H11FN6
Molecular Weight282.28 g/mol
Exact Mass282.10
IUPAC NameN-[(E)-(4-fluorophenyl)methylideneamino]-1-phenyltetrazol-5-amine
SMILESFc1ccc(/C=N/Nc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C14H11FN6/c15-12-8-6-11(7-9-12)10-16-17-14-18-19-20-21(14)13-4-2-1-3-5-13/h1-10H,(H,17,18,20)/b16-10+
InChIKeyWQYPMYJVELQOSF-MHWRWJLKSA-N
XLogP2.25
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenyltetrazol-5-amine (CID 5333424) is N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenyltetrazol-5-amine is Fc1ccc(/C=N/Nc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenyltetrazol-5-amine?
The InChIKey is WQYPMYJVELQOSF-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H11FN6/c15-12-8-6-11(7-9-12)10-16-17-14-18-19-20-21(14)13-4-2-1-3-5-13/h1-10H,(H,17,18,20)/b16-10+.
What are the key properties of N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenyltetrazol-5-amine?
N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenyltetrazol-5-amine has a molecular weight of 282.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 5333424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).