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

C11H17F3N4O — CID 64579256

IUPAC2,2-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol
SMILESCC(C)(CO)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H17F3N4O/c1-10(2,7-19)6-17-3-4-18-8(5-17)15-16-9(18)11(12,13)14/h19H,3-7H2,1-2H3
InChIKeyKGVJHERWGNFHCI-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.13
Rot. Bonds3

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

2,2-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol (PubChem CID 64579256) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol
PubChem CID64579256
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2,2-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol
SMILESCC(C)(CO)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H17F3N4O/c1-10(2,7-19)6-17-3-4-18-8(5-17)15-16-9(18)11(12,13)14/h19H,3-7H2,1-2H3
InChIKeyKGVJHERWGNFHCI-UHFFFAOYSA-N
XLogP1.13
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol (CID 64579256) is 2,2-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol is CC(C)(CO)CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 2,2-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol?
The InChIKey is KGVJHERWGNFHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-10(2,7-19)6-17-3-4-18-8(5-17)15-16-9(18)11(12,13)14/h19H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol?
2,2-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol has a molecular weight of 278.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol is sourced from PubChem (CID 64579256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).