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

C13H13F3N4 — CID 80825542

IUPAC6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C13H13F3N4/c1-2-3-18-11-6-17-7-12(20-11)19-8-4-9(14)13(16)10(15)5-8/h4-7H,2-3H2,1H3,(H2,18,19,20)
InChIKeyXCLYUAAPENWJLC-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.46
Rot. Bonds5

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

6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine (PubChem CID 80825542) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
PubChem CID80825542
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C13H13F3N4/c1-2-3-18-11-6-17-7-12(20-11)19-8-4-9(14)13(16)10(15)5-8/h4-7H,2-3H2,1H3,(H2,18,19,20)
InChIKeyXCLYUAAPENWJLC-UHFFFAOYSA-N
XLogP3.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.46
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

2-N-(4-chloro-3-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80803011
2-N-(3-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80755290
2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80647234
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine
CID 80851429
2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80843376
2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80757277
6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine
CID 80851533
2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine
CID 80847555
2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 80799502
6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80785273
2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine
CID 80824451

Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine (CID 80825542) is 6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine is CCCNc1cncc(Nc2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of 6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine?
The InChIKey is XCLYUAAPENWJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-2-3-18-11-6-17-7-12(20-11)19-8-4-9(14)13(16)10(15)5-8/h4-7H,2-3H2,1H3,(H2,18,19,20).
What are the key properties of 6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine?
6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine has a molecular weight of 282.27 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80825542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).