3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile

C19H11F2N7 — CID 24763362

IUPAC3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2cnc(N)c(-c3nncn3-c3cccc(F)c3F)n2)c1
InChIInChI=1S/C19H11F2N7/c20-13-5-2-6-15(16(13)21)28-10-25-27-19(28)17-18(23)24-9-14(26-17)12-4-1-3-11(7-12)8-22/h1-7,9-10H,(H2,23,24)
InChIKeyJRKHWUAZNKRMLF-UHFFFAOYSA-N
MW375.34 g/mol
LogP3.12
Rot. Bonds3

About 3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile

3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile (PubChem CID 24763362) has the molecular formula C19H11F2N7 and a molecular weight of 375.34 g/mol. Its IUPAC name is 3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile
PubChem CID24763362
Molecular FormulaC19H11F2N7
Molecular Weight375.34 g/mol
Exact Mass375.10
IUPAC Name3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2cnc(N)c(-c3nncn3-c3cccc(F)c3F)n2)c1
InChIInChI=1S/C19H11F2N7/c20-13-5-2-6-15(16(13)21)28-10-25-27-19(28)17-18(23)24-9-14(26-17)12-4-1-3-11(7-12)8-22/h1-7,9-10H,(H2,23,24)
InChIKeyJRKHWUAZNKRMLF-UHFFFAOYSA-N
XLogP3.12
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile?
The IUPAC name of 3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile (CID 24763362) is 3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile.
What is the SMILES notation for 3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile?
The canonical SMILES for 3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile is N#Cc1cccc(-c2cnc(N)c(-c3nncn3-c3cccc(F)c3F)n2)c1.
What is the InChIKey of 3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile?
The InChIKey is JRKHWUAZNKRMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N7/c20-13-5-2-6-15(16(13)21)28-10-25-27-19(28)17-18(23)24-9-14(26-17)12-4-1-3-11(7-12)8-22/h1-7,9-10H,(H2,23,24).
What are the key properties of 3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile?
3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile has a molecular weight of 375.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzonitrile is sourced from PubChem (CID 24763362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).