5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine

C11H8ClN5 — CID 81441563

IUPAC5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ncccc1-c1nnc2cncc(Cl)n12
InChIInChI=1S/C11H8ClN5/c1-7-8(3-2-4-14-7)11-16-15-10-6-13-5-9(12)17(10)11/h2-6H,1H3
InChIKeySLDRVIJXBSPIQI-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.15
Rot. Bonds1

About 5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine

5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 81441563) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID81441563
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ncccc1-c1nnc2cncc(Cl)n12
InChIInChI=1S/C11H8ClN5/c1-7-8(3-2-4-14-7)11-16-15-10-6-13-5-9(12)17(10)11/h2-6H,1H3
InChIKeySLDRVIJXBSPIQI-UHFFFAOYSA-N
XLogP2.15
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 81441563) is 5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine is Cc1ncccc1-c1nnc2cncc(Cl)n12.
What is the InChIKey of 5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SLDRVIJXBSPIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c1-7-8(3-2-4-14-7)11-16-15-10-6-13-5-9(12)17(10)11/h2-6H,1H3.
What are the key properties of 5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine?
5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 245.67 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 81441563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).