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

C8H11F3N4O — CID 64579597

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCn2cnnc2C1)C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)6(16)3-14-1-2-15-5-12-13-7(15)4-14/h5-6,16H,1-4H2
InChIKeyQPSRITFIQRORII-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.02
Rot. Bonds2

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

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 64579597) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID64579597
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCn2cnnc2C1)C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)6(16)3-14-1-2-15-5-12-13-7(15)4-14/h5-6,16H,1-4H2
InChIKeyQPSRITFIQRORII-UHFFFAOYSA-N
XLogP0.02
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropropan-2-ol (CID 64579597) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropropan-2-ol is OC(CN1CCn2cnnc2C1)C(F)(F)F.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is QPSRITFIQRORII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c9-8(10,11)6(16)3-14-1-2-15-5-12-13-7(15)4-14/h5-6,16H,1-4H2.
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropropan-2-ol?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 236.20 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 64579597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).