5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H18FN7O — CID 133465006

IUPAC5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCCCc2nc(-c3ccc(F)cc3)no2)n2ncnc2n1
InChIInChI=1S/C18H18FN7O/c1-2-14-10-15(26-18(23-14)21-11-22-26)20-9-3-4-16-24-17(25-27-16)12-5-7-13(19)8-6-12/h5-8,10-11,20H,2-4,9H2,1H3
InChIKeyMBCVUUINYRHDMJ-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.92
Rot. Bonds7

About 5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133465006) has the molecular formula C18H18FN7O and a molecular weight of 367.39 g/mol. Its IUPAC name is 5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133465006
Molecular FormulaC18H18FN7O
Molecular Weight367.39 g/mol
Exact Mass367.16
IUPAC Name5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCCCc2nc(-c3ccc(F)cc3)no2)n2ncnc2n1
InChIInChI=1S/C18H18FN7O/c1-2-14-10-15(26-18(23-14)21-11-22-26)20-9-3-4-16-24-17(25-27-16)12-5-7-13(19)8-6-12/h5-8,10-11,20H,2-4,9H2,1H3
InChIKeyMBCVUUINYRHDMJ-UHFFFAOYSA-N
XLogP2.92
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133295553
5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133270243
N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine
CID 133465113
N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-4-methylpyrimidin-2-amine
CID 133464996
5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 133284910
N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133465108
N-(2-cyclopropylethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324314
5-(methoxymethyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133295647
3,5-difluoro-4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]benzonitrile
CID 133465072
5-bromo-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-6-methylpyridin-2-amine
CID 133465031
N-[2-(2,4-difluorophenyl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133302351
4-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133465070

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133465006) is 5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCCCc2nc(-c3ccc(F)cc3)no2)n2ncnc2n1.
What is the InChIKey of 5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MBCVUUINYRHDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7O/c1-2-14-10-15(26-18(23-14)21-11-22-26)20-9-3-4-16-24-17(25-27-16)12-5-7-13(19)8-6-12/h5-8,10-11,20H,2-4,9H2,1H3.
What are the key properties of 5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 367.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133465006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).