N-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine

C15H14FN5 — CID 644714

IUPACN-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine
SMILESFc1ccccc1CCNc1nnnn1-c1ccccc1
InChIInChI=1S/C15H14FN5/c16-14-9-5-4-6-12(14)10-11-17-15-18-19-20-21(15)13-7-2-1-3-8-13/h1-9H,10-11H2,(H,17,18,20)
InChIKeyMAPADEKRFXADLQ-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.46
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine

N-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine (PubChem CID 644714) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine
PubChem CID644714
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine
SMILESFc1ccccc1CCNc1nnnn1-c1ccccc1
InChIInChI=1S/C15H14FN5/c16-14-9-5-4-6-12(14)10-11-17-15-18-19-20-21(15)13-7-2-1-3-8-13/h1-9H,10-11H2,(H,17,18,20)
InChIKeyMAPADEKRFXADLQ-UHFFFAOYSA-N
XLogP2.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine (CID 644714) is N-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine is Fc1ccccc1CCNc1nnnn1-c1ccccc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine?
The InChIKey is MAPADEKRFXADLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c16-14-9-5-4-6-12(14)10-11-17-15-18-19-20-21(15)13-7-2-1-3-8-13/h1-9H,10-11H2,(H,17,18,20).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine?
N-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine has a molecular weight of 283.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 644714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).