6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane

C13H24N4O — CID 142334723

IUPAC6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane
SMILESCC.CC.COC(C)(C)c1ncc(N)nc1C#N
InChIInChI=1S/C9H12N4O.2C2H6/c1-9(2,14-3)8-6(4-10)13-7(11)5-12-8;2*1-2/h5H,1-3H3,(H2,11,13);2*1-2H3
InChIKeyYHDSDLVOFDVYFA-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.86
Rot. Bonds2

About 6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane

6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane (PubChem CID 142334723) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane.

Molecular Properties

Compound Name6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane
PubChem CID142334723
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane
SMILESCC.CC.COC(C)(C)c1ncc(N)nc1C#N
InChIInChI=1S/C9H12N4O.2C2H6/c1-9(2,14-3)8-6(4-10)13-7(11)5-12-8;2*1-2/h5H,1-3H3,(H2,11,13);2*1-2H3
InChIKeyYHDSDLVOFDVYFA-UHFFFAOYSA-N
XLogP2.86
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane?
The IUPAC name of 6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane (CID 142334723) is 6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane.
What is the SMILES notation for 6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane?
The canonical SMILES for 6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane is CC.CC.COC(C)(C)c1ncc(N)nc1C#N.
What is the InChIKey of 6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane?
The InChIKey is YHDSDLVOFDVYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O.2C2H6/c1-9(2,14-3)8-6(4-10)13-7(11)5-12-8;2*1-2/h5H,1-3H3,(H2,11,13);2*1-2H3.
What are the key properties of 6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane?
6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane has a molecular weight of 252.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane is sourced from PubChem (CID 142334723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).