8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C15H14BrN5 — CID 124730441

IUPAC8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESBrc1cccc([C@@H]2CCCN2c2nccn3cnnc23)c1
InChIInChI=1S/C15H14BrN5/c16-12-4-1-3-11(9-12)13-5-2-7-21(13)14-15-19-18-10-20(15)8-6-17-14/h1,3-4,6,8-10,13H,2,5,7H2/t13-/m0/s1
InChIKeyHNARLFNTTLWGIS-ZDUSSCGKSA-N
MW344.22 g/mol
LogP3.23
Rot. Bonds2

About 8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 124730441) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is 8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID124730441
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC Name8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESBrc1cccc([C@@H]2CCCN2c2nccn3cnnc23)c1
InChIInChI=1S/C15H14BrN5/c16-12-4-1-3-11(9-12)13-5-2-7-21(13)14-15-19-18-10-20(15)8-6-17-14/h1,3-4,6,8-10,13H,2,5,7H2/t13-/m0/s1
InChIKeyHNARLFNTTLWGIS-ZDUSSCGKSA-N
XLogP3.23
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 124730441) is 8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Brc1cccc([C@@H]2CCCN2c2nccn3cnnc23)c1.
What is the InChIKey of 8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HNARLFNTTLWGIS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14BrN5/c16-12-4-1-3-11(9-12)13-5-2-7-21(13)14-15-19-18-10-20(15)8-6-17-14/h1,3-4,6,8-10,13H,2,5,7H2/t13-/m0/s1.
What are the key properties of 8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 344.22 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 124730441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).