6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine

C10H13F3N4 — CID 78989023

IUPAC6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine
SMILESNc1cncc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-2-1-3-17(6-7)9-5-15-4-8(14)16-9/h4-5,7H,1-3,6H2,(H2,14,16)
InChIKeyQGRXTPKFXXKWDS-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.84
Rot. Bonds1

About 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine

6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine (PubChem CID 78989023) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine
PubChem CID78989023
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine
SMILESNc1cncc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-2-1-3-17(6-7)9-5-15-4-8(14)16-9/h4-5,7H,1-3,6H2,(H2,14,16)
InChIKeyQGRXTPKFXXKWDS-UHFFFAOYSA-N
XLogP1.84
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine?
The IUPAC name of 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine (CID 78989023) is 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine?
The canonical SMILES for 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine is Nc1cncc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine?
The InChIKey is QGRXTPKFXXKWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)7-2-1-3-17(6-7)9-5-15-4-8(14)16-9/h4-5,7H,1-3,6H2,(H2,14,16).
What are the key properties of 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine?
6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine has a molecular weight of 246.24 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 78989023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).