3,5-bis(trifluoromethyl)pyrazin-2-amine

C6H3F6N3 — CID 130116246

IUPAC3,5-bis(trifluoromethyl)pyrazin-2-amine
SMILESNc1ncc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C6H3F6N3/c7-5(8,9)2-1-14-4(13)3(15-2)6(10,11)12/h1H,(H2,13,14)
InChIKeyHWPILMLGOLUPOC-UHFFFAOYSA-N
MW231.10 g/mol
LogP2.10
Rot. Bonds

About 3,5-bis(trifluoromethyl)pyrazin-2-amine

3,5-bis(trifluoromethyl)pyrazin-2-amine (PubChem CID 130116246) has the molecular formula C6H3F6N3 and a molecular weight of 231.10 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)pyrazin-2-amine
PubChem CID130116246
Molecular FormulaC6H3F6N3
Molecular Weight231.10 g/mol
Exact Mass231.02
IUPAC Name3,5-bis(trifluoromethyl)pyrazin-2-amine
SMILESNc1ncc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C6H3F6N3/c7-5(8,9)2-1-14-4(13)3(15-2)6(10,11)12/h1H,(H2,13,14)
InChIKeyHWPILMLGOLUPOC-UHFFFAOYSA-N
XLogP2.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-3,5-dimethylpyrazine
CID 2774764
3-Aminopyrazine-2,6-dicarbonitrile
CID 13925295
5-Methylpyrazin-2-amine
CID 313215
3-Aminopyrazine-2-carbonitrile
CID 817699
2-Amino-6-methylpyrazine
CID 12236939
2-Amino-3-methylpyrazine
CID 302284
3,6-Dimethylpyrazin-2-amine
CID 13261500
5-Aminopyrazine-2-carbonitrile
CID 13925294
3-Ethynylpyrazin-2-amine
CID 45789610
5-Bromo-3-methylpyrazin-2-amine
CID 21785147
5,6-Dimethylpyrazin-2-amine
CID 222763
N,3-Dimethylpyrazin-2-amine
CID 44327445

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 3,5-bis(trifluoromethyl)pyrazin-2-amine (CID 130116246) is 3,5-bis(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 3,5-bis(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 3,5-bis(trifluoromethyl)pyrazin-2-amine is Nc1ncc(C(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 3,5-bis(trifluoromethyl)pyrazin-2-amine?
The InChIKey is HWPILMLGOLUPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F6N3/c7-5(8,9)2-1-14-4(13)3(15-2)6(10,11)12/h1H,(H2,13,14).
What are the key properties of 3,5-bis(trifluoromethyl)pyrazin-2-amine?
3,5-bis(trifluoromethyl)pyrazin-2-amine has a molecular weight of 231.10 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 130116246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).