3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)

C17H18F6N6O4 — CID 87769489

IUPAC3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNc1ncc(-c2ccncc2)nc1N1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16N6.2C2HF3O2/c14-12-13(19-7-5-16-6-8-19)18-11(9-17-12)10-1-3-15-4-2-10;2*3-2(4,5)1(6)7/h1-4,9,16H,5-8H2,(H2,14,17);2*(H,6,7)
InChIKeyHRZNFNHVUDCNDL-UHFFFAOYSA-N
MW484.36 g/mol
LogP1.80
Rot. Bonds2

About 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)

3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87769489) has the molecular formula C17H18F6N6O4 and a molecular weight of 484.36 g/mol. Its IUPAC name is 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87769489
Molecular FormulaC17H18F6N6O4
Molecular Weight484.36 g/mol
Exact Mass484.13
IUPAC Name3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNc1ncc(-c2ccncc2)nc1N1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16N6.2C2HF3O2/c14-12-13(19-7-5-16-6-8-19)18-11(9-17-12)10-1-3-15-4-2-10;2*3-2(4,5)1(6)7/h1-4,9,16H,5-8H2,(H2,14,17);2*(H,6,7)
InChIKeyHRZNFNHVUDCNDL-UHFFFAOYSA-N
XLogP1.80
TPSA154.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.36
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid) (CID 87769489) is 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid) is Nc1ncc(-c2ccncc2)nc1N1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is HRZNFNHVUDCNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6.2C2HF3O2/c14-12-13(19-7-5-16-6-8-19)18-11(9-17-12)10-1-3-15-4-2-10;2*3-2(4,5)1(6)7/h1-4,9,16H,5-8H2,(H2,14,17);2*(H,6,7).
What are the key properties of 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)?
3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 484.36 g/mol, XLogP of 1.80, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87769489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).