5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile

C12H7F3N4 — CID 171526185

IUPAC5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N)c(Cc2cc(F)c(F)cc2F)n1
InChIInChI=1S/C12H7F3N4/c13-8-3-10(15)9(14)1-6(8)2-11-12(17)18-5-7(4-16)19-11/h1,3,5H,2H2,(H2,17,18)
InChIKeyFZMUEVLCWOMJRP-UHFFFAOYSA-N
MW264.21 g/mol
LogP1.94
Rot. Bonds2

About 5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile

5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile (PubChem CID 171526185) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile
PubChem CID171526185
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC Name5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N)c(Cc2cc(F)c(F)cc2F)n1
InChIInChI=1S/C12H7F3N4/c13-8-3-10(15)9(14)1-6(8)2-11-12(17)18-5-7(4-16)19-11/h1,3,5H,2H2,(H2,17,18)
InChIKeyFZMUEVLCWOMJRP-UHFFFAOYSA-N
XLogP1.94
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile?
The IUPAC name of 5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile (CID 171526185) is 5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile is N#Cc1cnc(N)c(Cc2cc(F)c(F)cc2F)n1.
What is the InChIKey of 5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile?
The InChIKey is FZMUEVLCWOMJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-8-3-10(15)9(14)1-6(8)2-11-12(17)18-5-7(4-16)19-11/h1,3,5H,2H2,(H2,17,18).
What are the key properties of 5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile?
5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile has a molecular weight of 264.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2,4,5-trifluorophenyl)methyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 171526185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).