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

C12H19F3N4O2 — CID 64578628

IUPAC1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
SMILESCC(C)OCC(O)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H19F3N4O2/c1-8(2)21-7-9(20)5-18-3-4-19-10(6-18)16-17-11(19)12(13,14)15/h8-9,20H,3-7H2,1-2H3
InChIKeyVSSGBVTVGGUKFR-UHFFFAOYSA-N
MW308.30 g/mol
LogP0.90
Rot. Bonds5

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

1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol (PubChem CID 64578628) has the molecular formula C12H19F3N4O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
PubChem CID64578628
Molecular FormulaC12H19F3N4O2
Molecular Weight308.30 g/mol
Exact Mass308.15
IUPAC Name1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
SMILESCC(C)OCC(O)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H19F3N4O2/c1-8(2)21-7-9(20)5-18-3-4-19-10(6-18)16-17-11(19)12(13,14)15/h8-9,20H,3-7H2,1-2H3
InChIKeyVSSGBVTVGGUKFR-UHFFFAOYSA-N
XLogP0.90
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol (CID 64578628) is 1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol is CC(C)OCC(O)CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
The InChIKey is VSSGBVTVGGUKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O2/c1-8(2)21-7-9(20)5-18-3-4-19-10(6-18)16-17-11(19)12(13,14)15/h8-9,20H,3-7H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol has a molecular weight of 308.30 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol is sourced from PubChem (CID 64578628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).