1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrazine

C8H13F3N2 — CID 155001347

IUPAC1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrazine
SMILESCC1CN(C)C(C(F)(F)F)=CN1C
InChIInChI=1S/C8H13F3N2/c1-6-4-13(3)7(5-12(6)2)8(9,10)11/h5-6H,4H2,1-3H3
InChIKeyHQCZWOACMJASIE-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.66
Rot. Bonds

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

1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrazine (PubChem CID 155001347) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrazine.

Molecular Properties

Compound Name1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrazine
PubChem CID155001347
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrazine
SMILESCC1CN(C)C(C(F)(F)F)=CN1C
InChIInChI=1S/C8H13F3N2/c1-6-4-13(3)7(5-12(6)2)8(9,10)11/h5-6H,4H2,1-3H3
InChIKeyHQCZWOACMJASIE-UHFFFAOYSA-N
XLogP1.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrazine?
The IUPAC name of 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrazine (CID 155001347) is 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrazine.
What is the SMILES notation for 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrazine?
The canonical SMILES for 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrazine is CC1CN(C)C(C(F)(F)F)=CN1C.
What is the InChIKey of 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrazine?
The InChIKey is HQCZWOACMJASIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-6-4-13(3)7(5-12(6)2)8(9,10)11/h5-6H,4H2,1-3H3.
What are the key properties of 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrazine?
1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrazine has a molecular weight of 194.20 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrazine is sourced from PubChem (CID 155001347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).