6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine

C11H16F3N5 — CID 162474105

IUPAC6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine
SMILESC[C@@H]1CN(c2cnc(C(F)(F)F)c(N)n2)C[C@@H](C)N1
InChIInChI=1S/C11H16F3N5/c1-6-4-19(5-7(2)17-6)8-3-16-9(10(15)18-8)11(12,13)14/h3,6-7,17H,4-5H2,1-2H3,(H2,15,18)/t6-,7-/m1/s1
InChIKeyFDTJBNDCKFZFBC-RNFRBKRXSA-N
MW275.28 g/mol
LogP1.26
Rot. Bonds1

About 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine

6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine (PubChem CID 162474105) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine
PubChem CID162474105
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC Name6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine
SMILESC[C@@H]1CN(c2cnc(C(F)(F)F)c(N)n2)C[C@@H](C)N1
InChIInChI=1S/C11H16F3N5/c1-6-4-19(5-7(2)17-6)8-3-16-9(10(15)18-8)11(12,13)14/h3,6-7,17H,4-5H2,1-2H3,(H2,15,18)/t6-,7-/m1/s1
InChIKeyFDTJBNDCKFZFBC-RNFRBKRXSA-N
XLogP1.26
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine (CID 162474105) is 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine is C[C@@H]1CN(c2cnc(C(F)(F)F)c(N)n2)C[C@@H](C)N1.
What is the InChIKey of 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is FDTJBNDCKFZFBC-RNFRBKRXSA-N. The full InChI is InChI=1S/C11H16F3N5/c1-6-4-19(5-7(2)17-6)8-3-16-9(10(15)18-8)11(12,13)14/h3,6-7,17H,4-5H2,1-2H3,(H2,15,18)/t6-,7-/m1/s1.
What are the key properties of 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine?
6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 275.28 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 162474105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).