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

C9H7ClF2N4 — CID 138684347

IUPAC8-chloro-3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC1(F)CC(c2nnc3c(Cl)nccn23)C1
InChIInChI=1S/C9H7ClF2N4/c10-6-8-15-14-7(16(8)2-1-13-6)5-3-9(11,12)4-5/h1-2,5H,3-4H2
InChIKeyQXQOPGBJARDLOZ-UHFFFAOYSA-N
MW244.63 g/mol
LogP2.29
Rot. Bonds1

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

8-chloro-3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 138684347) has the molecular formula C9H7ClF2N4 and a molecular weight of 244.63 g/mol. Its IUPAC name is 8-chloro-3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID138684347
Molecular FormulaC9H7ClF2N4
Molecular Weight244.63 g/mol
Exact Mass244.03
IUPAC Name8-chloro-3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC1(F)CC(c2nnc3c(Cl)nccn23)C1
InChIInChI=1S/C9H7ClF2N4/c10-6-8-15-14-7(16(8)2-1-13-6)5-3-9(11,12)4-5/h1-2,5H,3-4H2
InChIKeyQXQOPGBJARDLOZ-UHFFFAOYSA-N
XLogP2.29
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 138684347) is 8-chloro-3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazine is FC1(F)CC(c2nnc3c(Cl)nccn23)C1.
What is the InChIKey of 8-chloro-3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is QXQOPGBJARDLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N4/c10-6-8-15-14-7(16(8)2-1-13-6)5-3-9(11,12)4-5/h1-2,5H,3-4H2.
What are the key properties of 8-chloro-3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 244.63 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(3,3-difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 138684347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).