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

C18H18FN5 — CID 95851994

IUPACN-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1cc(-c2ccc(F)cc2)cn2nnnc12
InChIInChI=1S/C18H18FN5/c1-3-9-23(10-4-2)12-16-11-15(13-24-18(16)20-21-22-24)14-5-7-17(19)8-6-14/h3-8,11,13H,1-2,9-10,12H2
InChIKeyPEGBICCBMMFGDK-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.10
Rot. Bonds7

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

N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 95851994) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID95851994
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC NameN-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1cc(-c2ccc(F)cc2)cn2nnnc12
InChIInChI=1S/C18H18FN5/c1-3-9-23(10-4-2)12-16-11-15(13-24-18(16)20-21-22-24)14-5-7-17(19)8-6-14/h3-8,11,13H,1-2,9-10,12H2
InChIKeyPEGBICCBMMFGDK-UHFFFAOYSA-N
XLogP3.10
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 95851994) is N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)Cc1cc(-c2ccc(F)cc2)cn2nnnc12.
What is the InChIKey of N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is PEGBICCBMMFGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c1-3-9-23(10-4-2)12-16-11-15(13-24-18(16)20-21-22-24)14-5-7-17(19)8-6-14/h3-8,11,13H,1-2,9-10,12H2.
What are the key properties of N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 323.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 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]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 95851994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).