piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C12H16F3N5O — CID 64577695

IUPACpiperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(C1CCNCC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H16F3N5O/c13-12(14,15)11-18-17-9-7-19(5-6-20(9)11)10(21)8-1-3-16-4-2-8/h8,16H,1-7H2
InChIKeyGNXHATVJFBSSNR-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.64
Rot. Bonds1

About piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 64577695) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Namepiperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID64577695
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC Namepiperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(C1CCNCC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H16F3N5O/c13-12(14,15)11-18-17-9-7-19(5-6-20(9)11)10(21)8-1-3-16-4-2-8/h8,16H,1-7H2
InChIKeyGNXHATVJFBSSNR-UHFFFAOYSA-N
XLogP0.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 64577695) is piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(C1CCNCC1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is GNXHATVJFBSSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c13-12(14,15)11-18-17-9-7-19(5-6-20(9)11)10(21)8-1-3-16-4-2-8/h8,16H,1-7H2.
What are the key properties of piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 303.29 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 64577695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).