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

C11H14F3N5O2 — CID 64575022

IUPACmorpholin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(C1CNCCO1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H14F3N5O2/c12-11(13,14)10-17-16-8-6-18(2-3-19(8)10)9(20)7-5-15-1-4-21-7/h7,15H,1-6H2
InChIKeyQJAQXHBUHUIONZ-UHFFFAOYSA-N
MW305.26 g/mol
LogP-0.37
Rot. Bonds1

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

morpholin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 64575022) has the molecular formula C11H14F3N5O2 and a molecular weight of 305.26 g/mol. Its IUPAC name is morpholin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Namemorpholin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID64575022
Molecular FormulaC11H14F3N5O2
Molecular Weight305.26 g/mol
Exact Mass305.11
IUPAC Namemorpholin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(C1CNCCO1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H14F3N5O2/c12-11(13,14)10-17-16-8-6-18(2-3-19(8)10)9(20)7-5-15-1-4-21-7/h7,15H,1-6H2
InChIKeyQJAQXHBUHUIONZ-UHFFFAOYSA-N
XLogP-0.37
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of morpholin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 64575022) is morpholin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for morpholin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for morpholin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(C1CNCCO1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of morpholin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is QJAQXHBUHUIONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O2/c12-11(13,14)10-17-16-8-6-18(2-3-19(8)10)9(20)7-5-15-1-4-21-7/h7,15H,1-6H2.
What are the key properties of morpholin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
morpholin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 305.26 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 64575022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).