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

C12H18F3N5O — CID 66429636

IUPAC2-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine
SMILESFC(F)(F)c1nnc2n1CCN(CCC1CNCCO1)C2
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)11-18-17-10-8-19(4-5-20(10)11)3-1-9-7-16-2-6-21-9/h9,16H,1-8H2
InChIKeyBGNOCLUTBVCDGU-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.49
Rot. Bonds3

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

2-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine (PubChem CID 66429636) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine.

Molecular Properties

Compound Name2-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine
PubChem CID66429636
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name2-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine
SMILESFC(F)(F)c1nnc2n1CCN(CCC1CNCCO1)C2
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)11-18-17-10-8-19(4-5-20(10)11)3-1-9-7-16-2-6-21-9/h9,16H,1-8H2
InChIKeyBGNOCLUTBVCDGU-UHFFFAOYSA-N
XLogP0.49
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine?
The IUPAC name of 2-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine (CID 66429636) is 2-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine.
What is the SMILES notation for 2-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine?
The canonical SMILES for 2-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine is FC(F)(F)c1nnc2n1CCN(CCC1CNCCO1)C2.
What is the InChIKey of 2-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine?
The InChIKey is BGNOCLUTBVCDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c13-12(14,15)11-18-17-10-8-19(4-5-20(10)11)3-1-9-7-16-2-6-21-9/h9,16H,1-8H2.
What are the key properties of 2-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine?
2-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine has a molecular weight of 305.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine is sourced from PubChem (CID 66429636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).