3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile

C17H13FN6 — CID 46932196

IUPAC3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile
SMILESN#Cc1cc(F)cc(N2CCn3nc(-c4ccccn4)nc3C2)c1
InChIInChI=1S/C17H13FN6/c18-13-7-12(10-19)8-14(9-13)23-5-6-24-16(11-23)21-17(22-24)15-3-1-2-4-20-15/h1-4,7-9H,5-6,11H2
InChIKeyXFJPZYZCJVGULV-UHFFFAOYSA-N
MW320.33 g/mol
LogP2.37
Rot. Bonds2

About 3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile

3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile (PubChem CID 46932196) has the molecular formula C17H13FN6 and a molecular weight of 320.33 g/mol. Its IUPAC name is 3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile
PubChem CID46932196
Molecular FormulaC17H13FN6
Molecular Weight320.33 g/mol
Exact Mass320.12
IUPAC Name3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile
SMILESN#Cc1cc(F)cc(N2CCn3nc(-c4ccccn4)nc3C2)c1
InChIInChI=1S/C17H13FN6/c18-13-7-12(10-19)8-14(9-13)23-5-6-24-16(11-23)21-17(22-24)15-3-1-2-4-20-15/h1-4,7-9H,5-6,11H2
InChIKeyXFJPZYZCJVGULV-UHFFFAOYSA-N
XLogP2.37
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile?
The IUPAC name of 3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile (CID 46932196) is 3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile?
The canonical SMILES for 3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile is N#Cc1cc(F)cc(N2CCn3nc(-c4ccccn4)nc3C2)c1.
What is the InChIKey of 3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile?
The InChIKey is XFJPZYZCJVGULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6/c18-13-7-12(10-19)8-14(9-13)23-5-6-24-16(11-23)21-17(22-24)15-3-1-2-4-20-15/h1-4,7-9H,5-6,11H2.
What are the key properties of 3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile?
3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile has a molecular weight of 320.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)benzonitrile is sourced from PubChem (CID 46932196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).