N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine

C12H11F3N4 — CID 136577677

IUPACN-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine
SMILESFC(F)(F)c1ccc(CCNc2cnccn2)nc1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)9-1-2-10(19-7-9)3-4-17-11-8-16-5-6-18-11/h1-2,5-8H,3-4H2,(H,17,18)
InChIKeyXPRATFRDBIIKMY-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.55
Rot. Bonds4

About N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine

N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine (PubChem CID 136577677) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine
PubChem CID136577677
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC NameN-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine
SMILESFC(F)(F)c1ccc(CCNc2cnccn2)nc1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)9-1-2-10(19-7-9)3-4-17-11-8-16-5-6-18-11/h1-2,5-8H,3-4H2,(H,17,18)
InChIKeyXPRATFRDBIIKMY-UHFFFAOYSA-N
XLogP2.55
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine?
The IUPAC name of N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine (CID 136577677) is N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine.
What is the SMILES notation for N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine?
The canonical SMILES for N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine is FC(F)(F)c1ccc(CCNc2cnccn2)nc1.
What is the InChIKey of N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine?
The InChIKey is XPRATFRDBIIKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-12(14,15)9-1-2-10(19-7-9)3-4-17-11-8-16-5-6-18-11/h1-2,5-8H,3-4H2,(H,17,18).
What are the key properties of N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine?
N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine has a molecular weight of 268.24 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine is sourced from PubChem (CID 136577677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).