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

C12H12F3N5O — CID 105066894

IUPAC[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyridinyl]methanol
SMILESOCc1ccncc1N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H12F3N5O/c13-12(14,15)11-18-17-10-6-19(3-4-20(10)11)9-5-16-2-1-8(9)7-21/h1-2,5,21H,3-4,6-7H2
InChIKeyUGKQILQIQXOXDR-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.20
Rot. Bonds2

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

[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyridinyl]methanol (PubChem CID 105066894) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyridinyl]methanol
PubChem CID105066894
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyridinyl]methanol
SMILESOCc1ccncc1N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H12F3N5O/c13-12(14,15)11-18-17-10-6-19(3-4-20(10)11)9-5-16-2-1-8(9)7-21/h1-2,5,21H,3-4,6-7H2
InChIKeyUGKQILQIQXOXDR-UHFFFAOYSA-N
XLogP1.20
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine
CID 104540459
8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline
CID 133394249
7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 114478313
[3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol
CID 106316384
7-[5-(bromomethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 107084074
[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol
CID 105066656
3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]aniline
CID 64574998
N-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine
CID 80825845
[3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 105066909
4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridine-2-carbonitrile
CID 64576388
1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanol
CID 64578308
5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole
CID 133483432

Frequently Asked Questions

What is the IUPAC name of [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyridinyl]methanol?
The IUPAC name of [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyridinyl]methanol (CID 105066894) is [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyridinyl]methanol?
The canonical SMILES for [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyridinyl]methanol is OCc1ccncc1N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyridinyl]methanol?
The InChIKey is UGKQILQIQXOXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c13-12(14,15)11-18-17-10-6-19(3-4-20(10)11)9-5-16-2-1-8(9)7-21/h1-2,5,21H,3-4,6-7H2.
What are the key properties of [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyridinyl]methanol?
[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyridinyl]methanol has a molecular weight of 299.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 105066894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).