3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile

C13H18N4O — CID 133439566

IUPAC3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile
SMILESCC1(C)CC(Nc2nccnc2C#N)C(C)(C)O1
InChIInChI=1S/C13H18N4O/c1-12(2)7-10(13(3,4)18-12)17-11-9(8-14)15-5-6-16-11/h5-6,10H,7H2,1-4H3,(H,16,17)
InChIKeyASYWFMWMHBGQBU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.11
Rot. Bonds2

About 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile

3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile (PubChem CID 133439566) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile
PubChem CID133439566
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile
SMILESCC1(C)CC(Nc2nccnc2C#N)C(C)(C)O1
InChIInChI=1S/C13H18N4O/c1-12(2)7-10(13(3,4)18-12)17-11-9(8-14)15-5-6-16-11/h5-6,10H,7H2,1-4H3,(H,16,17)
InChIKeyASYWFMWMHBGQBU-UHFFFAOYSA-N
XLogP2.11
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile
CID 95971216
N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 133439472
3-(cyclooctylamino)pyrazine-2-carbonitrile
CID 62671623
3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile
CID 82760298
3-[[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]amino]pyrazine-2-carbonitrile
CID 97349056
3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile
CID 62672162
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine
CID 133439384
3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile
CID 133479818
2,5,6-trimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine
CID 133439394
3-fluoro-4-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzonitrile
CID 79927248
1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine
CID 79928054
5-nitro-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzonitrile
CID 79912062

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile (CID 133439566) is 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile is CC1(C)CC(Nc2nccnc2C#N)C(C)(C)O1.
What is the InChIKey of 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is ASYWFMWMHBGQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-12(2)7-10(13(3,4)18-12)17-11-9(8-14)15-5-6-16-11/h5-6,10H,7H2,1-4H3,(H,16,17).
What are the key properties of 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile?
3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133439566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).