5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

C15H11F3N6 — CID 72711840

IUPAC5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESNc1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cn1
InChIInChI=1S/C15H11F3N6/c16-15(17,18)11-3-1-9(6-21-11)13-14(20)23-7-10(24-13)8-2-4-12(19)22-5-8/h1-7H,(H2,19,22)(H2,20,23)
InChIKeyTWRQEGTXCZLTNP-UHFFFAOYSA-N
MW332.29 g/mol
LogP2.78
Rot. Bonds2

About 5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (PubChem CID 72711840) has the molecular formula C15H11F3N6 and a molecular weight of 332.29 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
PubChem CID72711840
Molecular FormulaC15H11F3N6
Molecular Weight332.29 g/mol
Exact Mass332.10
IUPAC Name5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESNc1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cn1
InChIInChI=1S/C15H11F3N6/c16-15(17,18)11-3-1-9(6-21-11)13-14(20)23-7-10(24-13)8-2-4-12(19)22-5-8/h1-7H,(H2,19,22)(H2,20,23)
InChIKeyTWRQEGTXCZLTNP-UHFFFAOYSA-N
XLogP2.78
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of 5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (CID 72711840) is 5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for 5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is Nc1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cn1.
What is the InChIKey of 5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is TWRQEGTXCZLTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6/c16-15(17,18)11-3-1-9(6-21-11)13-14(20)23-7-10(24-13)8-2-4-12(19)22-5-8/h1-7H,(H2,19,22)(H2,20,23).
What are the key properties of 5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 332.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-3-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 72711840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).