3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one

C15H21F3N4O2 — CID 127743377

IUPAC3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one
SMILESCc1nc(C(=O)N2CCN(CC(F)(F)F)CC2(C)C)c(=O)[nH]c1C
InChIInChI=1S/C15H21F3N4O2/c1-9-10(2)20-12(23)11(19-9)13(24)22-6-5-21(7-14(22,3)4)8-15(16,17)18/h5-8H2,1-4H3,(H,20,23)
InChIKeyNITDGCCTDIPHTK-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.49
Rot. Bonds2

About 3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one

3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one (PubChem CID 127743377) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one
PubChem CID127743377
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one
SMILESCc1nc(C(=O)N2CCN(CC(F)(F)F)CC2(C)C)c(=O)[nH]c1C
InChIInChI=1S/C15H21F3N4O2/c1-9-10(2)20-12(23)11(19-9)13(24)22-6-5-21(7-14(22,3)4)8-15(16,17)18/h5-8H2,1-4H3,(H,20,23)
InChIKeyNITDGCCTDIPHTK-UHFFFAOYSA-N
XLogP1.49
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one?
The IUPAC name of 3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one (CID 127743377) is 3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one?
The canonical SMILES for 3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one is Cc1nc(C(=O)N2CCN(CC(F)(F)F)CC2(C)C)c(=O)[nH]c1C.
What is the InChIKey of 3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one?
The InChIKey is NITDGCCTDIPHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-9-10(2)20-12(23)11(19-9)13(24)22-6-5-21(7-14(22,3)4)8-15(16,17)18/h5-8H2,1-4H3,(H,20,23).
What are the key properties of 3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one?
3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one has a molecular weight of 346.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyrazin-2-one is sourced from PubChem (CID 127743377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).