3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C16H18F2N4 — CID 95758394

IUPAC3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC[C@H](c1cc(F)ccc1F)N1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C16H18F2N4/c1-10(13-8-12(17)4-5-14(13)18)21-6-7-22-15(9-21)19-20-16(22)11-2-3-11/h4-5,8,10-11H,2-3,6-7,9H2,1H3/t10-/m1/s1
InChIKeyVFKWGFQRNIDSAS-SNVBAGLBSA-N
MW304.34 g/mol
LogP3.01
Rot. Bonds3

About 3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 95758394) has the molecular formula C16H18F2N4 and a molecular weight of 304.34 g/mol. Its IUPAC name is 3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID95758394
Molecular FormulaC16H18F2N4
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Name3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC[C@H](c1cc(F)ccc1F)N1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C16H18F2N4/c1-10(13-8-12(17)4-5-14(13)18)21-6-7-22-15(9-21)19-20-16(22)11-2-3-11/h4-5,8,10-11H,2-3,6-7,9H2,1H3/t10-/m1/s1
InChIKeyVFKWGFQRNIDSAS-SNVBAGLBSA-N
XLogP3.01
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 95758394) is 3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is C[C@H](c1cc(F)ccc1F)N1CCn2c(nnc2C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VFKWGFQRNIDSAS-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18F2N4/c1-10(13-8-12(17)4-5-14(13)18)21-6-7-22-15(9-21)19-20-16(22)11-2-3-11/h4-5,8,10-11H,2-3,6-7,9H2,1H3/t10-/m1/s1.
What are the key properties of 3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 304.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 95758394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).