N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine

C15H14FN5 — CID 92548723

IUPACN-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine
SMILESC=CCNCc1cc(-c2ccc(F)cc2)cn2nnnc12
InChIInChI=1S/C15H14FN5/c1-2-7-17-9-12-8-13(10-21-15(12)18-19-20-21)11-3-5-14(16)6-4-11/h2-6,8,10,17H,1,7,9H2
InChIKeyIVEGIFNUKPZNEM-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.21
Rot. Bonds5

About N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine

N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine (PubChem CID 92548723) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine
PubChem CID92548723
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC NameN-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine
SMILESC=CCNCc1cc(-c2ccc(F)cc2)cn2nnnc12
InChIInChI=1S/C15H14FN5/c1-2-7-17-9-12-8-13(10-21-15(12)18-19-20-21)11-3-5-14(16)6-4-11/h2-6,8,10,17H,1,7,9H2
InChIKeyIVEGIFNUKPZNEM-UHFFFAOYSA-N
XLogP2.21
TPSA55.11 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine (CID 92548723) is N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine is C=CCNCc1cc(-c2ccc(F)cc2)cn2nnnc12.
What is the InChIKey of N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine?
The InChIKey is IVEGIFNUKPZNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-2-7-17-9-12-8-13(10-21-15(12)18-19-20-21)11-3-5-14(16)6-4-11/h2-6,8,10,17H,1,7,9H2.
What are the key properties of N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine?
N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine has a molecular weight of 283.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 92548723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).