5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine

C10H11F3N4 — CID 114491137

IUPAC5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine
SMILESNc1cnc(N2CC=C(C(F)(F)F)CC2)cn1
InChIInChI=1S/C10H11F3N4/c11-10(12,13)7-1-3-17(4-2-7)9-6-15-8(14)5-16-9/h1,5-6H,2-4H2,(H2,14,15)
InChIKeyPKLWYHMEWZJXQZ-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.76
Rot. Bonds1

About 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine

5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine (PubChem CID 114491137) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine
PubChem CID114491137
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine
SMILESNc1cnc(N2CC=C(C(F)(F)F)CC2)cn1
InChIInChI=1S/C10H11F3N4/c11-10(12,13)7-1-3-17(4-2-7)9-6-15-8(14)5-16-9/h1,5-6H,2-4H2,(H2,14,15)
InChIKeyPKLWYHMEWZJXQZ-UHFFFAOYSA-N
XLogP1.76
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine?
The IUPAC name of 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine (CID 114491137) is 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine?
The canonical SMILES for 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine is Nc1cnc(N2CC=C(C(F)(F)F)CC2)cn1.
What is the InChIKey of 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine?
The InChIKey is PKLWYHMEWZJXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c11-10(12,13)7-1-3-17(4-2-7)9-6-15-8(14)5-16-9/h1,5-6H,2-4H2,(H2,14,15).
What are the key properties of 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine?
5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine has a molecular weight of 244.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 114491137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).