3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C12H14F3N5 — CID 165434495

IUPAC3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2c(N3CCC(C(F)(F)F)CC3)nccn12
InChIInChI=1S/C12H14F3N5/c1-8-17-18-11-10(16-4-7-20(8)11)19-5-2-9(3-6-19)12(13,14)15/h4,7,9H,2-3,5-6H2,1H3
InChIKeyMSVVXKZFHWAAHB-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.21
Rot. Bonds1

About 3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 165434495) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID165434495
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2c(N3CCC(C(F)(F)F)CC3)nccn12
InChIInChI=1S/C12H14F3N5/c1-8-17-18-11-10(16-4-7-20(8)11)19-5-2-9(3-6-19)12(13,14)15/h4,7,9H,2-3,5-6H2,1H3
InChIKeyMSVVXKZFHWAAHB-UHFFFAOYSA-N
XLogP2.21
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 165434495) is 3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nnc2c(N3CCC(C(F)(F)F)CC3)nccn12.
What is the InChIKey of 3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is MSVVXKZFHWAAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-8-17-18-11-10(16-4-7-20(8)11)19-5-2-9(3-6-19)12(13,14)15/h4,7,9H,2-3,5-6H2,1H3.
What are the key properties of 3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 285.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 165434495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).