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

C15H17F3N6O2 — CID 67364786

IUPAC3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1ncc(-c2ccncc2)nc1N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16N6.C2HF3O2/c14-12-13(19-7-5-16-6-8-19)18-11(9-17-12)10-1-3-15-4-2-10;3-2(4,5)1(6)7/h1-4,9,16H,5-8H2,(H2,14,17);(H,6,7)
InChIKeyAKVWVKHRZJYTNJ-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.16
Rot. Bonds2

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

3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 67364786) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID67364786
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC Name3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1ncc(-c2ccncc2)nc1N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16N6.C2HF3O2/c14-12-13(19-7-5-16-6-8-19)18-11(9-17-12)10-1-3-15-4-2-10;3-2(4,5)1(6)7/h1-4,9,16H,5-8H2,(H2,14,17);(H,6,7)
InChIKeyAKVWVKHRZJYTNJ-UHFFFAOYSA-N
XLogP1.16
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid (CID 67364786) is 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid is Nc1ncc(-c2ccncc2)nc1N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is AKVWVKHRZJYTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6.C2HF3O2/c14-12-13(19-7-5-16-6-8-19)18-11(9-17-12)10-1-3-15-4-2-10;3-2(4,5)1(6)7/h1-4,9,16H,5-8H2,(H2,14,17);(H,6,7).
What are the key properties of 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid?
3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 370.34 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-5-pyridin-4-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67364786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).