5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile

C17H24N4O — CID 156846868

IUPAC5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile
SMILESCC1(C)CC(Nc2nc(C3CC3)cnc2C#N)CC(C)(C)O1
InChIInChI=1S/C17H24N4O/c1-16(2)7-12(8-17(3,4)22-16)20-15-13(9-18)19-10-14(21-15)11-5-6-11/h10-12H,5-8H2,1-4H3,(H,20,21)
InChIKeyAVHXNRLVUFLBAH-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.37
Rot. Bonds3

About 5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile

5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile (PubChem CID 156846868) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile
PubChem CID156846868
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile
SMILESCC1(C)CC(Nc2nc(C3CC3)cnc2C#N)CC(C)(C)O1
InChIInChI=1S/C17H24N4O/c1-16(2)7-12(8-17(3,4)22-16)20-15-13(9-18)19-10-14(21-15)11-5-6-11/h10-12H,5-8H2,1-4H3,(H,20,21)
InChIKeyAVHXNRLVUFLBAH-UHFFFAOYSA-N
XLogP3.37
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile (CID 156846868) is 5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile is CC1(C)CC(Nc2nc(C3CC3)cnc2C#N)CC(C)(C)O1.
What is the InChIKey of 5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is AVHXNRLVUFLBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-16(2)7-12(8-17(3,4)22-16)20-15-13(9-18)19-10-14(21-15)11-5-6-11/h10-12H,5-8H2,1-4H3,(H,20,21).
What are the key properties of 5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile?
5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 300.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(2,2,6,6-tetramethyloxan-4-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 156846868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).