7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C13H20F3N5 — CID 64576024

IUPAC7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1(CN2CCn3c(nnc3C(F)(F)F)C2)CCCNC1
InChIInChI=1S/C13H20F3N5/c1-12(3-2-4-17-8-12)9-20-5-6-21-10(7-20)18-19-11(21)13(14,15)16/h17H,2-9H2,1H3
InChIKeyPRTCDRBEXYAZGO-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.50
Rot. Bonds2

About 7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 64576024) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID64576024
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1(CN2CCn3c(nnc3C(F)(F)F)C2)CCCNC1
InChIInChI=1S/C13H20F3N5/c1-12(3-2-4-17-8-12)9-20-5-6-21-10(7-20)18-19-11(21)13(14,15)16/h17H,2-9H2,1H3
InChIKeyPRTCDRBEXYAZGO-UHFFFAOYSA-N
XLogP1.50
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 64576024) is 7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC1(CN2CCn3c(nnc3C(F)(F)F)C2)CCCNC1.
What is the InChIKey of 7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PRTCDRBEXYAZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-12(3-2-4-17-8-12)9-20-5-6-21-10(7-20)18-19-11(21)13(14,15)16/h17H,2-9H2,1H3.
What are the key properties of 7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 303.33 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 64576024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).