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

C12H11F3N6O — CID 91957043

IUPAC[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)c1cnccn1
InChIInChI=1S/C12H11F3N6O/c1-7-9-18-19-11(12(13,14)15)21(9)5-4-20(7)10(22)8-6-16-2-3-17-8/h2-3,6-7H,4-5H2,1H3
InChIKeyWKAKQPPYYYOJFN-UHFFFAOYSA-N
MW312.26 g/mol
LogP1.30
Rot. Bonds1

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

[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone (PubChem CID 91957043) has the molecular formula C12H11F3N6O and a molecular weight of 312.26 g/mol. Its IUPAC name is [8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
PubChem CID91957043
Molecular FormulaC12H11F3N6O
Molecular Weight312.26 g/mol
Exact Mass312.09
IUPAC Name[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)c1cnccn1
InChIInChI=1S/C12H11F3N6O/c1-7-9-18-19-11(12(13,14)15)21(9)5-4-20(7)10(22)8-6-16-2-3-17-8/h2-3,6-7H,4-5H2,1H3
InChIKeyWKAKQPPYYYOJFN-UHFFFAOYSA-N
XLogP1.30
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(diethylamino)-6-methylpyrimidin-4-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956947
[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 91956917
1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
CID 91956898
[5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956984
1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 91956997
pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669963
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
[4-(4-methylphenyl)oxan-4-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956985
[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
CID 164699117
(2-methylpiperazin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71639489
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
CID 10150823
8-methyl-7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 91956970

Frequently Asked Questions

What is the IUPAC name of [8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone (CID 91957043) is [8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone is CC1c2nnc(C(F)(F)F)n2CCN1C(=O)c1cnccn1.
What is the InChIKey of [8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone?
The InChIKey is WKAKQPPYYYOJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N6O/c1-7-9-18-19-11(12(13,14)15)21(9)5-4-20(7)10(22)8-6-16-2-3-17-8/h2-3,6-7H,4-5H2,1H3.
What are the key properties of [8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone?
[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone has a molecular weight of 312.26 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 91957043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).