3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C11H16F2N4 — CID 114226592

IUPAC3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c(C3CCC(F)(F)C3)nnc21
InChIInChI=1S/C11H16F2N4/c1-7-9-15-16-10(17(9)5-4-14-7)8-2-3-11(12,13)6-8/h7-8,14H,2-6H2,1H3
InChIKeySKONBQCLZJZDJW-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.85
Rot. Bonds1

About 3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 114226592) has the molecular formula C11H16F2N4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID114226592
Molecular FormulaC11H16F2N4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c(C3CCC(F)(F)C3)nnc21
InChIInChI=1S/C11H16F2N4/c1-7-9-15-16-10(17(9)5-4-14-7)8-2-3-11(12,13)6-8/h7-8,14H,2-6H2,1H3
InChIKeySKONBQCLZJZDJW-UHFFFAOYSA-N
XLogP1.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 114226592) is 3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1NCCn2c(C3CCC(F)(F)C3)nnc21.
What is the InChIKey of 3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SKONBQCLZJZDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4/c1-7-9-15-16-10(17(9)5-4-14-7)8-2-3-11(12,13)6-8/h7-8,14H,2-6H2,1H3.
What are the key properties of 3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 242.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 114226592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).