8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine

C12H16F3N7 — CID 138020221

IUPAC8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESC[C@@H]1CN(c2nccn3nnnc23)C[C@H](C)N1CC(F)(F)F
InChIInChI=1S/C12H16F3N7/c1-8-5-20(6-9(2)21(8)7-12(13,14)15)10-11-17-18-19-22(11)4-3-16-10/h3-4,8-9H,5-7H2,1-2H3/t8-,9+
InChIKeyIKXGACVENLRUGM-DTORHVGOSA-N
MW315.30 g/mol
LogP0.98
Rot. Bonds2

About 8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine

8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine (PubChem CID 138020221) has the molecular formula C12H16F3N7 and a molecular weight of 315.30 g/mol. Its IUPAC name is 8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine
PubChem CID138020221
Molecular FormulaC12H16F3N7
Molecular Weight315.30 g/mol
Exact Mass315.14
IUPAC Name8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESC[C@@H]1CN(c2nccn3nnnc23)C[C@H](C)N1CC(F)(F)F
InChIInChI=1S/C12H16F3N7/c1-8-5-20(6-9(2)21(8)7-12(13,14)15)10-11-17-18-19-22(11)4-3-16-10/h3-4,8-9H,5-7H2,1-2H3/t8-,9+
InChIKeyIKXGACVENLRUGM-DTORHVGOSA-N
XLogP0.98
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine?
The IUPAC name of 8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine (CID 138020221) is 8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine is C[C@@H]1CN(c2nccn3nnnc23)C[C@H](C)N1CC(F)(F)F.
What is the InChIKey of 8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine?
The InChIKey is IKXGACVENLRUGM-DTORHVGOSA-N. The full InChI is InChI=1S/C12H16F3N7/c1-8-5-20(6-9(2)21(8)7-12(13,14)15)10-11-17-18-19-22(11)4-3-16-10/h3-4,8-9H,5-7H2,1-2H3/t8-,9+.
What are the key properties of 8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine?
8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine has a molecular weight of 315.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 138020221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).