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

C12H19F3N4O — CID 64579254

IUPAC2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-ol
SMILESCCC(C)(CO)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H19F3N4O/c1-3-11(2,8-20)7-18-4-5-19-9(6-18)16-17-10(19)12(13,14)15/h20H,3-8H2,1-2H3
InChIKeyDZQMFQCNPBCQJT-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.52
Rot. Bonds4

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

2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-ol (PubChem CID 64579254) has the molecular formula C12H19F3N4O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-ol
PubChem CID64579254
Molecular FormulaC12H19F3N4O
Molecular Weight292.30 g/mol
Exact Mass292.15
IUPAC Name2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-ol
SMILESCCC(C)(CO)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H19F3N4O/c1-3-11(2,8-20)7-18-4-5-19-9(6-18)16-17-10(19)12(13,14)15/h20H,3-8H2,1-2H3
InChIKeyDZQMFQCNPBCQJT-UHFFFAOYSA-N
XLogP1.52
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-ol (CID 64579254) is 2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-ol is CCC(C)(CO)CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-ol?
The InChIKey is DZQMFQCNPBCQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-3-11(2,8-20)7-18-4-5-19-9(6-18)16-17-10(19)12(13,14)15/h20H,3-8H2,1-2H3.
What are the key properties of 2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-ol?
2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-ol has a molecular weight of 292.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-ol is sourced from PubChem (CID 64579254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).