8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile

C13H7F2N5 — CID 134304663

IUPAC8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile
SMILESN#Cc1cn2ncnc2c(Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H7F2N5/c14-9-1-8(2-10(15)4-9)3-12-13-17-7-18-20(13)6-11(5-16)19-12/h1-2,4,6-7H,3H2
InChIKeyPQRFUIVKHTZAJD-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.86
Rot. Bonds2

About 8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile

8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile (PubChem CID 134304663) has the molecular formula C13H7F2N5 and a molecular weight of 271.23 g/mol. Its IUPAC name is 8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile.

Molecular Properties

Compound Name8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile
PubChem CID134304663
Molecular FormulaC13H7F2N5
Molecular Weight271.23 g/mol
Exact Mass271.07
IUPAC Name8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile
SMILESN#Cc1cn2ncnc2c(Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H7F2N5/c14-9-1-8(2-10(15)4-9)3-12-13-17-7-18-20(13)6-11(5-16)19-12/h1-2,4,6-7H,3H2
InChIKeyPQRFUIVKHTZAJD-UHFFFAOYSA-N
XLogP1.86
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile?
The IUPAC name of 8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile (CID 134304663) is 8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile.
What is the SMILES notation for 8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile?
The canonical SMILES for 8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile is N#Cc1cn2ncnc2c(Cc2cc(F)cc(F)c2)n1.
What is the InChIKey of 8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile?
The InChIKey is PQRFUIVKHTZAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N5/c14-9-1-8(2-10(15)4-9)3-12-13-17-7-18-20(13)6-11(5-16)19-12/h1-2,4,6-7H,3H2.
What are the key properties of 8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile?
8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile has a molecular weight of 271.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile is sourced from PubChem (CID 134304663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).