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

C13H13N5O — CID 124992078

IUPACpyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CCC[C@H]1c1cnccn1
InChIInChI=1S/C13H13N5O/c19-13(11-9-15-4-6-17-11)18-7-1-2-12(18)10-8-14-3-5-16-10/h3-6,8-9,12H,1-2,7H2/t12-/m0/s1
InChIKeyPNSZDABIXUXTDB-LBPRGKRZSA-N
MW255.28 g/mol
LogP1.24
Rot. Bonds2

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

pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone (PubChem CID 124992078) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
PubChem CID124992078
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Namepyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CCC[C@H]1c1cnccn1
InChIInChI=1S/C13H13N5O/c19-13(11-9-15-4-6-17-11)18-7-1-2-12(18)10-8-14-3-5-16-10/h3-6,8-9,12H,1-2,7H2/t12-/m0/s1
InChIKeyPNSZDABIXUXTDB-LBPRGKRZSA-N
XLogP1.24
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95841727
1-(2-pyrazin-2-ylpyrrolidin-1-yl)propan-1-one
CID 73439555
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124983474
pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669963
3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 110258258
(6-methoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124968333
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
2,2-dimethyl-1-[(2R)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one
CID 95843127
2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one
CID 95843128
[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone (CID 124992078) is pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone is O=C(c1cnccn1)N1CCC[C@H]1c1cnccn1.
What is the InChIKey of pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is PNSZDABIXUXTDB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H13N5O/c19-13(11-9-15-4-6-17-11)18-7-1-2-12(18)10-8-14-3-5-16-10/h3-6,8-9,12H,1-2,7H2/t12-/m0/s1.
What are the key properties of pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone?
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 255.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 124992078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).