N-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C13H14F3N5 — CID 130178358

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESFC(F)(F)c1nnc2c(NC3CC4CCC3C4)nccn12
InChIInChI=1S/C13H14F3N5/c14-13(15,16)12-20-19-11-10(17-3-4-21(11)12)18-9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,17,18)
InChIKeyHWJWDNAZMKXDMU-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.74
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 130178358) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID130178358
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESFC(F)(F)c1nnc2c(NC3CC4CCC3C4)nccn12
InChIInChI=1S/C13H14F3N5/c14-13(15,16)12-20-19-11-10(17-3-4-21(11)12)18-9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,17,18)
InChIKeyHWJWDNAZMKXDMU-UHFFFAOYSA-N
XLogP2.74
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 130178358) is N-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is FC(F)(F)c1nnc2c(NC3CC4CCC3C4)nccn12.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is HWJWDNAZMKXDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c14-13(15,16)12-20-19-11-10(17-3-4-21(11)12)18-9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 297.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 130178358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).