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

C18H15F3N6O — CID 86279091

IUPAC(6S)-6-methyl-3-pyrazin-2-yl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESC[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N6O/c1-11-9-27-15(14-8-22-5-6-23-14)24-25-16(27)17(28)26(11)10-12-3-2-4-13(7-12)18(19,20)21/h2-8,11H,9-10H2,1H3/t11-/m0/s1
InChIKeyZCIXPYLTPDBCHK-NSHDSACASA-N
MW388.35 g/mol
LogP2.80
Rot. Bonds3

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

(6S)-6-methyl-3-pyrazin-2-yl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 86279091) has the molecular formula C18H15F3N6O and a molecular weight of 388.35 g/mol. Its IUPAC name is (6S)-6-methyl-3-pyrazin-2-yl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name(6S)-6-methyl-3-pyrazin-2-yl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID86279091
Molecular FormulaC18H15F3N6O
Molecular Weight388.35 g/mol
Exact Mass388.13
IUPAC Name(6S)-6-methyl-3-pyrazin-2-yl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESC[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N6O/c1-11-9-27-15(14-8-22-5-6-23-14)24-25-16(27)17(28)26(11)10-12-3-2-4-13(7-12)18(19,20)21/h2-8,11H,9-10H2,1H3/t11-/m0/s1
InChIKeyZCIXPYLTPDBCHK-NSHDSACASA-N
XLogP2.80
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-6-methyl-3-pyrazin-2-yl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one with MolForge

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Related Compounds

(6S)-7-[2-Chloro-3-(trifluoromethyl)benzyl]-6-ethyl-3-pyrazin-2-yl-6,7-dihydro[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one
CID 86278949
(6S)-7-[(2,3-dichlorophenyl)methyl]-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 86279350
(S)-7-(2-Chloro-3-(trifluoromethyl)benzyl)-6-methyl-3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one
CID 86279412
(6S)-7-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-3-pyridin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 86279414
(6S)-7-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-3-pyrimidin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 86279481
(6S)-7-[2-Chloro-3-(trifluoromethyl)benzyl]-6-methyl-3-pyridin-3-yl-6,7-dihydro[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one
CID 86279547
(6S)-7-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(5-fluoropyridin-2-yl)-6-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 86279548
Imidazo[1,2-a]pyrazin-8(5H)-one, 7-[(3,4-difluorophenyl)methyl]-6,7-dihydro-2-[5-methyl-2-[(1-methyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl]-
CID 129116809
(6S)-7-[(3,4-difluorophenyl)methyl]-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129136448
(3R)-3-amino-1-[8-(pyridin-2-ylmethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
CID 45263687
(R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(6-(trifluoromethyl)pyridin-3-yl)-7,8-dihydro-1H-imidazo[2,1-b]purin-4(5H)-one
CID 53357190
N-(6-(6-amino-5-(trifluoromethyl)pyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)acetamide
CID 59251834

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-3-pyrazin-2-yl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of (6S)-6-methyl-3-pyrazin-2-yl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 86279091) is (6S)-6-methyl-3-pyrazin-2-yl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for (6S)-6-methyl-3-pyrazin-2-yl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for (6S)-6-methyl-3-pyrazin-2-yl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of (6S)-6-methyl-3-pyrazin-2-yl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is ZCIXPYLTPDBCHK-NSHDSACASA-N. The full InChI is InChI=1S/C18H15F3N6O/c1-11-9-27-15(14-8-22-5-6-23-14)24-25-16(27)17(28)26(11)10-12-3-2-4-13(7-12)18(19,20)21/h2-8,11H,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (6S)-6-methyl-3-pyrazin-2-yl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
(6S)-6-methyl-3-pyrazin-2-yl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 388.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-3-pyrazin-2-yl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 86279091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).