2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine

C12H13N5 — CID 95841488

IUPAC2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine
SMILESc1cnc([C@@H]2CCCN2c2cnccn2)cn1
InChIInChI=1S/C12H13N5/c1-2-11(10-8-13-3-5-15-10)17(7-1)12-9-14-4-6-16-12/h3-6,8-9,11H,1-2,7H2/t11-/m0/s1
InChIKeyAVPJLMTYAJIKJH-NSHDSACASA-N
MW227.27 g/mol
LogP1.61
Rot. Bonds2

About 2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine

2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine (PubChem CID 95841488) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine
PubChem CID95841488
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine
SMILESc1cnc([C@@H]2CCCN2c2cnccn2)cn1
InChIInChI=1S/C12H13N5/c1-2-11(10-8-13-3-5-15-10)17(7-1)12-9-14-4-6-16-12/h3-6,8-9,11H,1-2,7H2/t11-/m0/s1
InChIKeyAVPJLMTYAJIKJH-NSHDSACASA-N
XLogP1.61
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine (CID 95841488) is 2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine is c1cnc([C@@H]2CCCN2c2cnccn2)cn1.
What is the InChIKey of 2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine?
The InChIKey is AVPJLMTYAJIKJH-NSHDSACASA-N. The full InChI is InChI=1S/C12H13N5/c1-2-11(10-8-13-3-5-15-10)17(7-1)12-9-14-4-6-16-12/h3-6,8-9,11H,1-2,7H2/t11-/m0/s1.
What are the key properties of 2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine?
2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine has a molecular weight of 227.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 95841488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).