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

C7H9F3N4O — CID 90425593

IUPAC[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol
SMILESOCC1Cn2c(nnc2C(F)(F)F)CN1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)6-13-12-5-1-11-4(3-15)2-14(5)6/h4,11,15H,1-3H2
InChIKeyACESCWHXOYJWBK-UHFFFAOYSA-N
MW222.17 g/mol
LogP-0.24
Rot. Bonds1

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

[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol (PubChem CID 90425593) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol
PubChem CID90425593
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol
SMILESOCC1Cn2c(nnc2C(F)(F)F)CN1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)6-13-12-5-1-11-4(3-15)2-14(5)6/h4,11,15H,1-3H2
InChIKeyACESCWHXOYJWBK-UHFFFAOYSA-N
XLogP-0.24
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol?
The IUPAC name of [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol (CID 90425593) is [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol.
What is the SMILES notation for [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol?
The canonical SMILES for [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol is OCC1Cn2c(nnc2C(F)(F)F)CN1.
What is the InChIKey of [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol?
The InChIKey is ACESCWHXOYJWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)6-13-12-5-1-11-4(3-15)2-14(5)6/h4,11,15H,1-3H2.
What are the key properties of [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol?
[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol has a molecular weight of 222.17 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol is sourced from PubChem (CID 90425593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).