2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine

C10H7F3N4 — CID 80647234

IUPAC2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
SMILESNc1cncc(Nc2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C10H7F3N4/c11-6-1-5(2-7(12)10(6)13)16-9-4-15-3-8(14)17-9/h1-4H,(H3,14,16,17)
InChIKeyFQIZBFPVLKORRS-UHFFFAOYSA-N
MW240.19 g/mol
LogP2.22
Rot. Bonds2

About 2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine

2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine (PubChem CID 80647234) has the molecular formula C10H7F3N4 and a molecular weight of 240.19 g/mol. Its IUPAC name is 2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
PubChem CID80647234
Molecular FormulaC10H7F3N4
Molecular Weight240.19 g/mol
Exact Mass240.06
IUPAC Name2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
SMILESNc1cncc(Nc2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C10H7F3N4/c11-6-1-5(2-7(12)10(6)13)16-9-4-15-3-8(14)17-9/h1-4H,(H3,14,16,17)
InChIKeyFQIZBFPVLKORRS-UHFFFAOYSA-N
XLogP2.22
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825542
2-N-(4-iodophenyl)pyrazine-2,6-diamine
CID 80647336
2-N-(5-bromo-2-fluorophenyl)pyrazine-2,6-diamine
CID 80647110
2-N-naphthalen-2-ylpyrazine-2,6-diamine
CID 80647570
2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine
CID 80647697
2-propyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954909
4-N-(3,4,5-trifluorophenyl)pyrimidine-4,5-diamine
CID 79917364
5-fluoro-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824688
2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
CID 78988973
3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile
CID 103468291
2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine
CID 80648132
6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80825639

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine (CID 80647234) is 2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine is Nc1cncc(Nc2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of 2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine?
The InChIKey is FQIZBFPVLKORRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4/c11-6-1-5(2-7(12)10(6)13)16-9-4-15-3-8(14)17-9/h1-4H,(H3,14,16,17).
What are the key properties of 2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine?
2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine has a molecular weight of 240.19 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80647234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).