1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine

C10H17F3N2 — CID 70935651

IUPAC1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine
SMILESCC1=C(C)N(C)C(C(F)(F)F)C(C)N1C
InChIInChI=1S/C10H17F3N2/c1-6-7(2)15(5)9(10(11,12)13)8(3)14(6)4/h8-9H,1-5H3
InChIKeyRQBYXMVQIOTYFH-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.43
Rot. Bonds

About 1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine

1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine (PubChem CID 70935651) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine.

Molecular Properties

Compound Name1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine
PubChem CID70935651
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine
SMILESCC1=C(C)N(C)C(C(F)(F)F)C(C)N1C
InChIInChI=1S/C10H17F3N2/c1-6-7(2)15(5)9(10(11,12)13)8(3)14(6)4/h8-9H,1-5H3
InChIKeyRQBYXMVQIOTYFH-UHFFFAOYSA-N
XLogP2.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine?
The IUPAC name of 1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine (CID 70935651) is 1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine.
What is the SMILES notation for 1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine?
The canonical SMILES for 1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine is CC1=C(C)N(C)C(C(F)(F)F)C(C)N1C.
What is the InChIKey of 1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine?
The InChIKey is RQBYXMVQIOTYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-6-7(2)15(5)9(10(11,12)13)8(3)14(6)4/h8-9H,1-5H3.
What are the key properties of 1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine?
1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine has a molecular weight of 222.25 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6-pentamethyl-3-(trifluoromethyl)-2,3-dihydropyrazine is sourced from PubChem (CID 70935651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).