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

C10H13F3N4O — CID 69363535

IUPACcyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol
SMILESOC(C1CC1)C1NCCn2nc(C(F)(F)F)nc21
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)9-15-8-6(7(18)5-1-2-5)14-3-4-17(8)16-9/h5-7,14,18H,1-4H2
InChIKeyOXRBLILGMBZFSW-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.71
Rot. Bonds2

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

cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol (PubChem CID 69363535) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol
PubChem CID69363535
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Namecyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol
SMILESOC(C1CC1)C1NCCn2nc(C(F)(F)F)nc21
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)9-15-8-6(7(18)5-1-2-5)14-3-4-17(8)16-9/h5-7,14,18H,1-4H2
InChIKeyOXRBLILGMBZFSW-UHFFFAOYSA-N
XLogP0.71
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol?
The IUPAC name of cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol (CID 69363535) is cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol.
What is the SMILES notation for cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol?
The canonical SMILES for cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol is OC(C1CC1)C1NCCn2nc(C(F)(F)F)nc21.
What is the InChIKey of cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol?
The InChIKey is OXRBLILGMBZFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)9-15-8-6(7(18)5-1-2-5)14-3-4-17(8)16-9/h5-7,14,18H,1-4H2.
What are the key properties of cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol?
cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol has a molecular weight of 262.23 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol is sourced from PubChem (CID 69363535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).