8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine

C10H10ClF2N5 — CID 139294880

IUPAC8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC1(F)CCCN(c2nnc3c(Cl)nccn23)C1
InChIInChI=1S/C10H10ClF2N5/c11-7-8-15-16-9(18(8)5-3-14-7)17-4-1-2-10(12,13)6-17/h3,5H,1-2,4,6H2
InChIKeyKEYXAFZLBQISNF-UHFFFAOYSA-N
MW273.67 g/mol
LogP2.01
Rot. Bonds1

About 8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine

8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 139294880) has the molecular formula C10H10ClF2N5 and a molecular weight of 273.67 g/mol. Its IUPAC name is 8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID139294880
Molecular FormulaC10H10ClF2N5
Molecular Weight273.67 g/mol
Exact Mass273.06
IUPAC Name8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC1(F)CCCN(c2nnc3c(Cl)nccn23)C1
InChIInChI=1S/C10H10ClF2N5/c11-7-8-15-16-9(18(8)5-3-14-7)17-4-1-2-10(12,13)6-17/h3,5H,1-2,4,6H2
InChIKeyKEYXAFZLBQISNF-UHFFFAOYSA-N
XLogP2.01
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.67
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 139294880) is 8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is FC1(F)CCCN(c2nnc3c(Cl)nccn23)C1.
What is the InChIKey of 8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KEYXAFZLBQISNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N5/c11-7-8-15-16-9(18(8)5-3-14-7)17-4-1-2-10(12,13)6-17/h3,5H,1-2,4,6H2.
What are the key properties of 8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 273.67 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 139294880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).