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

C7H9F3N4O — CID 71039112

IUPAC[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol
SMILESOCN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)6-12-11-5-3-13(4-15)1-2-14(5)6/h15H,1-4H2
InChIKeyHSYIXNHWODEAET-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.06
Rot. Bonds1

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

[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol (PubChem CID 71039112) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol
PubChem CID71039112
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol
SMILESOCN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)6-12-11-5-3-13(4-15)1-2-14(5)6/h15H,1-4H2
InChIKeyHSYIXNHWODEAET-UHFFFAOYSA-N
XLogP0.06
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62587166
7-Nitroso-3-(trifluoromethyl)-5,6,7,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrazine; 7-nitroso-3-(trifluoromethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 165984324
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-ium
CID 26985278
7-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 70214013
3-(Trifluoromethyl)-7-methyl-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine
CID 45097024
7-ethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 58157198
7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 59856280
3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 64575211
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetaldehyde
CID 64577428
3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde
CID 64991850
7-butyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 67978377
3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
CID 68524743

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol?
The IUPAC name of [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol (CID 71039112) is [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol.
What is the SMILES notation for [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol?
The canonical SMILES for [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol is OCN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol?
The InChIKey is HSYIXNHWODEAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)6-12-11-5-3-13(4-15)1-2-14(5)6/h15H,1-4H2.
What are the key properties of [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol?
[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol has a molecular weight of 222.17 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol is sourced from PubChem (CID 71039112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).