6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

C17H17F3N6O3 — CID 175834730

IUPAC6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1ccc(COc2cncc(N3CCNCC3)n2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H16N6O.C2HF3O2/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;3-2(4,5)1(6)7/h1-2,8-10,17H,3-6,11H2;(H,6,7)
InChIKeyIKUKHYGYWNNQOI-UHFFFAOYSA-N
MW410.36 g/mol
LogP1.37
Rot. Bonds4

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

6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 175834730) has the molecular formula C17H17F3N6O3 and a molecular weight of 410.36 g/mol. Its IUPAC name is 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID175834730
Molecular FormulaC17H17F3N6O3
Molecular Weight410.36 g/mol
Exact Mass410.13
IUPAC Name6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1ccc(COc2cncc(N3CCNCC3)n2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H16N6O.C2HF3O2/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;3-2(4,5)1(6)7/h1-2,8-10,17H,3-6,11H2;(H,6,7)
InChIKeyIKUKHYGYWNNQOI-UHFFFAOYSA-N
XLogP1.37
TPSA124.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile
CID 166591264
2-(naphthalen-1-ylmethoxy)-6-piperazin-1-ylpyrazine
CID 10267995
2-[[4-(2-phenylethynyl)thiophen-2-yl]methoxy]-6-piperazin-1-ylpyrazine
CID 68574460
2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine
CID 22482026
4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid;2-(trifluoromethyl)pyrimidine
CID 87767979
6-piperazin-1-ylpyrazine-2-carbonitrile
CID 90674675
2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine
CID 18186931
4-(piperazine-1-carbonyl)benzonitrile;2,2,2-trifluoroacetic acid
CID 22467982
4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 87595026
3-fluoro-4-[[4-(methoxymethyl)-6-piperazin-1-yl-2-pyridinyl]oxymethyl]benzonitrile
CID 167093673
2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine
CID 45485742
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;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 175834730) is 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is N#Cc1ccc(COc2cncc(N3CCNCC3)n2)nc1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is IKUKHYGYWNNQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O.C2HF3O2/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;3-2(4,5)1(6)7/h1-2,8-10,17H,3-6,11H2;(H,6,7).
What are the key properties of 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 410.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175834730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).