2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol

C9H11F3N2O — CID 166876450

IUPAC2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol
SMILESCN1CCn2c(ccc2C(F)(F)F)C1O
InChIInChI=1S/C9H11F3N2O/c1-13-4-5-14-6(8(13)15)2-3-7(14)9(10,11)12/h2-3,8,15H,4-5H2,1H3
InChIKeyBOHYQVPRZZRXQK-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.44
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol

2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol (PubChem CID 166876450) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol
PubChem CID166876450
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol
SMILESCN1CCn2c(ccc2C(F)(F)F)C1O
InChIInChI=1S/C9H11F3N2O/c1-13-4-5-14-6(8(13)15)2-3-7(14)9(10,11)12/h2-3,8,15H,4-5H2,1H3
InChIKeyBOHYQVPRZZRXQK-UHFFFAOYSA-N
XLogP1.44
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Methyl-1H-pyrrol-2-yl)-2-piperidin-1-yl-ethanol
CID 11206576
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizin-3-yl)-methanol
CID 44329283
((R)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizin-3-yl)-methanol
CID 44329299
1-Methyl-alpha-(trifluoromethyl)-1H-pyrrole-2-methanol
CID 14788370
(1-(difluoromethyl)-1H-pyrrol-2-yl)methanol
CID 66399944
1,1,1-trifluoro-2-[1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]propan-2-ol
CID 154722176
2,2,2-Trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol
CID 154722224
2-[1,1-bis(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 154722292
(1,5-Dimethylpyrrol-2-yl)methanol
CID 15015390
[1-(Trifluoromethyl)pyrrol-2-yl]methanol
CID 20431393
2,2,2-Trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol
CID 142770215
1-[1-(4,4,4-Trifluorobutyl)pyrrol-2-yl]propan-1-ol
CID 143389302

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol (CID 166876450) is 2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol is CN1CCn2c(ccc2C(F)(F)F)C1O.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol?
The InChIKey is BOHYQVPRZZRXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-13-4-5-14-6(8(13)15)2-3-7(14)9(10,11)12/h2-3,8,15H,4-5H2,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol?
2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol has a molecular weight of 220.19 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol is sourced from PubChem (CID 166876450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).