5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile

C10H11N5 — CID 164639718

IUPAC5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile
SMILESC[C@@H](CC#N)N(C)c1cnc(C#N)cn1
InChIInChI=1S/C10H11N5/c1-8(3-4-11)15(2)10-7-13-9(5-12)6-14-10/h6-8H,3H2,1-2H3/t8-/m0/s1
InChIKeyDSKPQSIUIQRRHL-QMMMGPOBSA-N
MW201.23 g/mol
LogP1.09
Rot. Bonds3

About 5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile

5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile (PubChem CID 164639718) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile
PubChem CID164639718
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile
SMILESC[C@@H](CC#N)N(C)c1cnc(C#N)cn1
InChIInChI=1S/C10H11N5/c1-8(3-4-11)15(2)10-7-13-9(5-12)6-14-10/h6-8H,3H2,1-2H3/t8-/m0/s1
InChIKeyDSKPQSIUIQRRHL-QMMMGPOBSA-N
XLogP1.09
TPSA76.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile (CID 164639718) is 5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile is C[C@@H](CC#N)N(C)c1cnc(C#N)cn1.
What is the InChIKey of 5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile?
The InChIKey is DSKPQSIUIQRRHL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11N5/c1-8(3-4-11)15(2)10-7-13-9(5-12)6-14-10/h6-8H,3H2,1-2H3/t8-/m0/s1.
What are the key properties of 5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile?
5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile has a molecular weight of 201.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-1-cyanopropan-2-yl]-methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 164639718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).