2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine

C11H14ClF3N4 — CID 133431598

IUPAC2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine
SMILESCC1CN(c2cncc(Cl)n2)CCN1CC(F)(F)F
InChIInChI=1S/C11H14ClF3N4/c1-8-6-18(10-5-16-4-9(12)17-10)2-3-19(8)7-11(13,14)15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyAHSSFVBPCAVVFH-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.20
Rot. Bonds2

About 2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine

2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine (PubChem CID 133431598) has the molecular formula C11H14ClF3N4 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine
PubChem CID133431598
Molecular FormulaC11H14ClF3N4
Molecular Weight294.71 g/mol
Exact Mass294.09
IUPAC Name2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine
SMILESCC1CN(c2cncc(Cl)n2)CCN1CC(F)(F)F
InChIInChI=1S/C11H14ClF3N4/c1-8-6-18(10-5-16-4-9(12)17-10)2-3-19(8)7-11(13,14)15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyAHSSFVBPCAVVFH-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)pyrazine
CID 79035105
4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 133431510
N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 133431532
4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 133431434
2-chloro-6-(3-methylpiperidin-1-yl)pyrazine
CID 53409115
1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine
CID 55158990
1-(6-chloropyrazin-2-yl)-3-methylpiperidin-4-amine
CID 116650896
2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 63620736
(3R)-1-(6-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 86323671
2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine
CID 116650875
2-benzyl-4-chloro-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one
CID 133431658
2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133431634

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine (CID 133431598) is 2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine is CC1CN(c2cncc(Cl)n2)CCN1CC(F)(F)F.
What is the InChIKey of 2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
The InChIKey is AHSSFVBPCAVVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4/c1-8-6-18(10-5-16-4-9(12)17-10)2-3-19(8)7-11(13,14)15/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine has a molecular weight of 294.71 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 133431598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).