5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile

C12H16N4O — CID 83029223

IUPAC5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile
SMILESCC1(C)CC(Nc2cnc(C#N)cn2)CCO1
InChIInChI=1S/C12H16N4O/c1-12(2)5-9(3-4-17-12)16-11-8-14-10(6-13)7-15-11/h7-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyCTQSFPBBJXOBQG-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.72
Rot. Bonds2

About 5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile

5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile (PubChem CID 83029223) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile
PubChem CID83029223
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile
SMILESCC1(C)CC(Nc2cnc(C#N)cn2)CCO1
InChIInChI=1S/C12H16N4O/c1-12(2)5-9(3-4-17-12)16-11-8-14-10(6-13)7-15-11/h7-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyCTQSFPBBJXOBQG-UHFFFAOYSA-N
XLogP1.72
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2,2-dimethyloxan-4-yl)pyrazine-2,5-diamine
CID 83040320
6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile
CID 113336612
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107545039
N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 113336591
N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-imidazol-2-amine
CID 106578773
N-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine
CID 67009275
6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide
CID 113336597
N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine
CID 106578747
4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine
CID 83040106
4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine
CID 83039065
N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine
CID 83028574
6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine
CID 83040213

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile (CID 83029223) is 5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile is CC1(C)CC(Nc2cnc(C#N)cn2)CCO1.
What is the InChIKey of 5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is CTQSFPBBJXOBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(2)5-9(3-4-17-12)16-11-8-14-10(6-13)7-15-11/h7-9H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile?
5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 83029223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).