8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H19FN6O — CID 118717986

IUPAC8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nnc(-c2ccc(Nc3nc4n(n3)CCCC4c3ccc(F)cc3)cc2)o1
InChIInChI=1S/C21H19FN6O/c1-13-25-26-20(29-13)15-6-10-17(11-7-15)23-21-24-19-18(3-2-12-28(19)27-21)14-4-8-16(22)9-5-14/h4-11,18H,2-3,12H2,1H3,(H,23,27)
InChIKeyHABKWGAMOAYFIB-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.44
Rot. Bonds4

About 8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 118717986) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID118717986
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nnc(-c2ccc(Nc3nc4n(n3)CCCC4c3ccc(F)cc3)cc2)o1
InChIInChI=1S/C21H19FN6O/c1-13-25-26-20(29-13)15-6-10-17(11-7-15)23-21-24-19-18(3-2-12-28(19)27-21)14-4-8-16(22)9-5-14/h4-11,18H,2-3,12H2,1H3,(H,23,27)
InChIKeyHABKWGAMOAYFIB-UHFFFAOYSA-N
XLogP4.44
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 118717986) is 8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nnc(-c2ccc(Nc3nc4n(n3)CCCC4c3ccc(F)cc3)cc2)o1.
What is the InChIKey of 8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is HABKWGAMOAYFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-13-25-26-20(29-13)15-6-10-17(11-7-15)23-21-24-19-18(3-2-12-28(19)27-21)14-4-8-16(22)9-5-14/h4-11,18H,2-3,12H2,1H3,(H,23,27).
What are the key properties of 8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 390.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 118717986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).