6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile

C15H16N6O — CID 166591264

IUPAC6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(COc2cncc(N3CCNCC3)n2)nc1
InChIInChI=1S/C15H16N6O/c16-7-12-1-2-13(19-8-12)11-22-15-10-18-9-14(20-15)21-5-3-17-4-6-21/h1-2,8-10,17H,3-6,11H2
InChIKeyDJVZQZJVMRZYQB-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.73
Rot. Bonds4

About 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile

6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile (PubChem CID 166591264) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile
PubChem CID166591264
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(COc2cncc(N3CCNCC3)n2)nc1
InChIInChI=1S/C15H16N6O/c16-7-12-1-2-13(19-8-12)11-22-15-10-18-9-14(20-15)21-5-3-17-4-6-21/h1-2,8-10,17H,3-6,11H2
InChIKeyDJVZQZJVMRZYQB-UHFFFAOYSA-N
XLogP0.73
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 175834730
2-(naphthalen-1-ylmethoxy)-6-piperazin-1-ylpyrazine
CID 10267995
2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine
CID 22482026
2-[[4-(2-phenylethynyl)thiophen-2-yl]methoxy]-6-piperazin-1-ylpyrazine
CID 68574460
6-piperazin-1-ylpyrazine-2-carbonitrile
CID 90674675
2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine
CID 45485742
2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine
CID 18186931
3-fluoro-4-[[4-(methoxymethyl)-6-piperazin-1-yl-2-pyridinyl]oxymethyl]benzonitrile
CID 167093673
8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
CID 18186924
6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile
CID 53392102
6-(aminooxymethyl)pyridine-3-carbonitrile
CID 59479137
4-[[6-(1,4-diazepan-1-yl)-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 164544839

Frequently Asked Questions

What is the IUPAC name of 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile (CID 166591264) is 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile is N#Cc1ccc(COc2cncc(N3CCNCC3)n2)nc1.
What is the InChIKey of 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile?
The InChIKey is DJVZQZJVMRZYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c16-7-12-1-2-13(19-8-12)11-22-15-10-18-9-14(20-15)21-5-3-17-4-6-21/h1-2,8-10,17H,3-6,11H2.
What are the key properties of 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile?
6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 166591264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).