5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine

C9H9ClN4 — CID 81442348

IUPAC5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1cncc2nnc(C3CCC3)n12
InChIInChI=1S/C9H9ClN4/c10-7-4-11-5-8-12-13-9(14(7)8)6-2-1-3-6/h4-6H,1-3H2
InChIKeyLDABWJUJHMOALF-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.05
Rot. Bonds1

About 5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine

5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 81442348) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID81442348
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1cncc2nnc(C3CCC3)n12
InChIInChI=1S/C9H9ClN4/c10-7-4-11-5-8-12-13-9(14(7)8)6-2-1-3-6/h4-6H,1-3H2
InChIKeyLDABWJUJHMOALF-UHFFFAOYSA-N
XLogP2.05
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 81442348) is 5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine is Clc1cncc2nnc(C3CCC3)n12.
What is the InChIKey of 5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is LDABWJUJHMOALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-7-4-11-5-8-12-13-9(14(7)8)6-2-1-3-6/h4-6H,1-3H2.
What are the key properties of 5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine?
5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 208.65 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 81442348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).