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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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).