3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C14H18F3N5O — CID 138684290

IUPAC3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ncc(C(F)(F)F)n2c(N3CCCC(C)(C)C3)nnc12
InChIInChI=1S/C14H18F3N5O/c1-13(2)5-4-6-21(8-13)12-20-19-10-11(23-3)18-7-9(22(10)12)14(15,16)17/h7H,4-6,8H2,1-3H3
InChIKeySTLDWCKBPVDRQM-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.78
Rot. Bonds2

About 3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 138684290) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is 3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID138684290
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC Name3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ncc(C(F)(F)F)n2c(N3CCCC(C)(C)C3)nnc12
InChIInChI=1S/C14H18F3N5O/c1-13(2)5-4-6-21(8-13)12-20-19-10-11(23-3)18-7-9(22(10)12)14(15,16)17/h7H,4-6,8H2,1-3H3
InChIKeySTLDWCKBPVDRQM-UHFFFAOYSA-N
XLogP2.78
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 138684290) is 3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is COc1ncc(C(F)(F)F)n2c(N3CCCC(C)(C)C3)nnc12.
What is the InChIKey of 3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is STLDWCKBPVDRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-13(2)5-4-6-21(8-13)12-20-19-10-11(23-3)18-7-9(22(10)12)14(15,16)17/h7H,4-6,8H2,1-3H3.
What are the key properties of 3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 329.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 138684290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).