8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine

C12H16ClN5 — CID 139314198

IUPAC8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1CCC(C)N1c1nnc2c(Cl)nccn12
InChIInChI=1S/C12H16ClN5/c1-3-9-5-4-8(2)18(9)12-16-15-11-10(13)14-6-7-17(11)12/h6-9H,3-5H2,1-2H3
InChIKeyQLIQYBULIYVSPI-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.55
Rot. Bonds2

About 8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine

8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 139314198) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID139314198
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1CCC(C)N1c1nnc2c(Cl)nccn12
InChIInChI=1S/C12H16ClN5/c1-3-9-5-4-8(2)18(9)12-16-15-11-10(13)14-6-7-17(11)12/h6-9H,3-5H2,1-2H3
InChIKeyQLIQYBULIYVSPI-UHFFFAOYSA-N
XLogP2.55
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 139314198) is 8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is CCC1CCC(C)N1c1nnc2c(Cl)nccn12.
What is the InChIKey of 8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is QLIQYBULIYVSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-3-9-5-4-8(2)18(9)12-16-15-11-10(13)14-6-7-17(11)12/h6-9H,3-5H2,1-2H3.
What are the key properties of 8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 265.75 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(2-ethyl-5-methylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 139314198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).