3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile

C14H20N4O — CID 82760298

IUPAC3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile
SMILESCCC1(CC)CC(Nc2nccnc2C#N)CCO1
InChIInChI=1S/C14H20N4O/c1-3-14(4-2)9-11(5-8-19-14)18-13-12(10-15)16-6-7-17-13/h6-7,11H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyBQWOPRRXWINNCC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.50
Rot. Bonds4

About 3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile

3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile (PubChem CID 82760298) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile
PubChem CID82760298
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile
SMILESCCC1(CC)CC(Nc2nccnc2C#N)CCO1
InChIInChI=1S/C14H20N4O/c1-3-14(4-2)9-11(5-8-19-14)18-13-12(10-15)16-6-7-17-13/h6-7,11H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyBQWOPRRXWINNCC-UHFFFAOYSA-N
XLogP2.50
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]amino]pyrazine-2-carbonitrile
CID 97349056
3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one
CID 115865725
2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83029239
N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine
CID 82760789
3-(cyclooctylamino)pyrazine-2-carbonitrile
CID 62671623
2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107545041
5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine
CID 82760303
3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine
CID 102751716
N-(2,2-diethyloxan-4-yl)-2-methylpyrimidin-4-amine
CID 82760302
6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine
CID 83028987
2-amino-4-[(2,2-diethyloxan-4-yl)amino]benzonitrile
CID 83027822
4-bromo-2-[(2,2-diethyloxan-4-yl)amino]benzonitrile
CID 114902117

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile (CID 82760298) is 3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile is CCC1(CC)CC(Nc2nccnc2C#N)CCO1.
What is the InChIKey of 3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is BQWOPRRXWINNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-14(4-2)9-11(5-8-19-14)18-13-12(10-15)16-6-7-17-13/h6-7,11H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile?
3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 82760298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).