2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine

C9H13F3N4 — CID 115523020

IUPAC2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine
SMILESNc1cnc(NCCCCC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)3-1-2-4-14-8-6-15-7(13)5-16-8/h5-6H,1-4H2,(H2,13,15)(H,14,16)
InChIKeySEALYAZEVRUEDJ-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.20
Rot. Bonds5

About 2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine

2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine (PubChem CID 115523020) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine
PubChem CID115523020
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine
SMILESNc1cnc(NCCCCC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)3-1-2-4-14-8-6-15-7(13)5-16-8/h5-6H,1-4H2,(H2,13,15)(H,14,16)
InChIKeySEALYAZEVRUEDJ-UHFFFAOYSA-N
XLogP2.20
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)pyrazin-2-amine
CID 16768175
6-(Pyrrolidin-1-yl)pyrazin-2-amine
CID 66520349
N-cyclopentylpyrazin-2-amine
CID 29773248
N-cyclobutylpyrazin-2-amine
CID 21927711
2,6-Bis(methylamino)pyrazine
CID 57211663
6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine
CID 125446780
2-[(3S)-3-propylpiperazin-1-yl]pyrazine
CID 129560902
1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine
CID 136571641
N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
CID 164629971
2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine
CID 164639580
N-(trifluoromethyl)pyrazin-2-amine
CID 22046334
1-(Pyrazin-2-YL)piperidin-3-amine
CID 45787024

Frequently Asked Questions

What is the IUPAC name of 2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine?
The IUPAC name of 2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine (CID 115523020) is 2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine?
The canonical SMILES for 2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine is Nc1cnc(NCCCCC(F)(F)F)cn1.
What is the InChIKey of 2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine?
The InChIKey is SEALYAZEVRUEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c10-9(11,12)3-1-2-4-14-8-6-15-7(13)5-16-8/h5-6H,1-4H2,(H2,13,15)(H,14,16).
What are the key properties of 2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine?
2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine has a molecular weight of 234.22 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine is sourced from PubChem (CID 115523020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).