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

C18H15FN6O — CID 118717941

IUPACN-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine
SMILESFc1ccc(C2CCCn3nc(Nc4ccc5nonc5c4)nc32)cc1
InChIInChI=1S/C18H15FN6O/c19-12-5-3-11(4-6-12)14-2-1-9-25-17(14)21-18(22-25)20-13-7-8-15-16(10-13)24-26-23-15/h3-8,10,14H,1-2,9H2,(H,20,22)
InChIKeyZPBSXXNCHCNJLI-UHFFFAOYSA-N
MW350.36 g/mol
LogP3.62
Rot. Bonds3

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

N-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine (PubChem CID 118717941) has the molecular formula C18H15FN6O and a molecular weight of 350.36 g/mol. Its IUPAC name is N-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine.

Molecular Properties

Compound NameN-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine
PubChem CID118717941
Molecular FormulaC18H15FN6O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC NameN-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine
SMILESFc1ccc(C2CCCn3nc(Nc4ccc5nonc5c4)nc32)cc1
InChIInChI=1S/C18H15FN6O/c19-12-5-3-11(4-6-12)14-2-1-9-25-17(14)21-18(22-25)20-13-7-8-15-16(10-13)24-26-23-15/h3-8,10,14H,1-2,9H2,(H,20,22)
InChIKeyZPBSXXNCHCNJLI-UHFFFAOYSA-N
XLogP3.62
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine?
The IUPAC name of N-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine (CID 118717941) is N-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine.
What is the SMILES notation for N-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine?
The canonical SMILES for N-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine is Fc1ccc(C2CCCn3nc(Nc4ccc5nonc5c4)nc32)cc1.
What is the InChIKey of N-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine?
The InChIKey is ZPBSXXNCHCNJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O/c19-12-5-3-11(4-6-12)14-2-1-9-25-17(14)21-18(22-25)20-13-7-8-15-16(10-13)24-26-23-15/h3-8,10,14H,1-2,9H2,(H,20,22).
What are the key properties of N-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine?
N-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine has a molecular weight of 350.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine is sourced from PubChem (CID 118717941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).