5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile

C13H15N7O — CID 99802734

IUPAC5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESCN(C)c1noc([C@@H]2CCCN2c2cnc(C#N)cn2)n1
InChIInChI=1S/C13H15N7O/c1-19(2)13-17-12(21-18-13)10-4-3-5-20(10)11-8-15-9(6-14)7-16-11/h7-8,10H,3-5H2,1-2H3/t10-/m0/s1
InChIKeyKYLNJCZRUQCBGS-JTQLQIEISA-N
MW285.31 g/mol
LogP1.14
Rot. Bonds3

About 5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile

5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 99802734) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is 5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID99802734
Molecular FormulaC13H15N7O
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESCN(C)c1noc([C@@H]2CCCN2c2cnc(C#N)cn2)n1
InChIInChI=1S/C13H15N7O/c1-19(2)13-17-12(21-18-13)10-4-3-5-20(10)11-8-15-9(6-14)7-16-11/h7-8,10H,3-5H2,1-2H3/t10-/m0/s1
InChIKeyKYLNJCZRUQCBGS-JTQLQIEISA-N
XLogP1.14
TPSA94.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 99802734) is 5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile is CN(C)c1noc([C@@H]2CCCN2c2cnc(C#N)cn2)n1.
What is the InChIKey of 5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is KYLNJCZRUQCBGS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N7O/c1-19(2)13-17-12(21-18-13)10-4-3-5-20(10)11-8-15-9(6-14)7-16-11/h7-8,10H,3-5H2,1-2H3/t10-/m0/s1.
What are the key properties of 5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile?
5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 285.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 99802734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).