3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine

C13H21F3N4 — CID 90391788

IUPAC3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine
SMILESCC(C)C(Nc1cnc(C(F)(F)F)c(N)n1)C(C)(C)C
InChIInChI=1S/C13H21F3N4/c1-7(2)9(12(3,4)5)19-8-6-18-10(11(17)20-8)13(14,15)16/h6-7,9H,1-5H3,(H3,17,19,20)
InChIKeyOISOPZWUBACSJE-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.56
Rot. Bonds3

About 3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine

3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine (PubChem CID 90391788) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine
PubChem CID90391788
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine
SMILESCC(C)C(Nc1cnc(C(F)(F)F)c(N)n1)C(C)(C)C
InChIInChI=1S/C13H21F3N4/c1-7(2)9(12(3,4)5)19-8-6-18-10(11(17)20-8)13(14,15)16/h6-7,9H,1-5H3,(H3,17,19,20)
InChIKeyOISOPZWUBACSJE-UHFFFAOYSA-N
XLogP3.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine?
The IUPAC name of 3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine (CID 90391788) is 3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine.
What is the SMILES notation for 3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine?
The canonical SMILES for 3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine is CC(C)C(Nc1cnc(C(F)(F)F)c(N)n1)C(C)(C)C.
What is the InChIKey of 3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine?
The InChIKey is OISOPZWUBACSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-7(2)9(12(3,4)5)19-8-6-18-10(11(17)20-8)13(14,15)16/h6-7,9H,1-5H3,(H3,17,19,20).
What are the key properties of 3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine?
3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine has a molecular weight of 290.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-6-N-(2,2,4-trimethylpentan-3-yl)pyrazine-2,6-diamine is sourced from PubChem (CID 90391788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).