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

C19H17F3N6O — CID 86279088

IUPAC(6S)-6-methyl-7-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCc1c(CN2C(=O)c3nnc(-c4cnccn4)n3C[C@@H]2C)cccc1C(F)(F)F
InChIInChI=1S/C19H17F3N6O/c1-11-9-28-16(15-8-23-6-7-24-15)25-26-17(28)18(29)27(11)10-13-4-3-5-14(12(13)2)19(20,21)22/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1
InChIKeyXCULOYOJSNYNKK-NSHDSACASA-N
MW402.38 g/mol
LogP3.11
Rot. Bonds3

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

(6S)-6-methyl-7-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 86279088) has the molecular formula C19H17F3N6O and a molecular weight of 402.38 g/mol. Its IUPAC name is (6S)-6-methyl-7-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name(6S)-6-methyl-7-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID86279088
Molecular FormulaC19H17F3N6O
Molecular Weight402.38 g/mol
Exact Mass402.14
IUPAC Name(6S)-6-methyl-7-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCc1c(CN2C(=O)c3nnc(-c4cnccn4)n3C[C@@H]2C)cccc1C(F)(F)F
InChIInChI=1S/C19H17F3N6O/c1-11-9-28-16(15-8-23-6-7-24-15)25-26-17(28)18(29)27(11)10-13-4-3-5-14(12(13)2)19(20,21)22/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1
InChIKeyXCULOYOJSNYNKK-NSHDSACASA-N
XLogP3.11
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(6S)-6-methyl-3-pyrazin-2-yl-7-[[2-(trifluoromethoxy)phenyl]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 86279017
(6R)-7-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-6-ethynyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 162570582
(6S)-7-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-3-(5-methylpyrimidin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 90444842
7-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-3-(1-methylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 123501627
7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 123428040
(6S)-7-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-3-(1H-pyrazol-5-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 86279482
7-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-3-(1-methylpyrazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 123910712
(6S)-7-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-cycloheptyl-6-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 90402403
[2-methyl-3-(trifluoromethyl)phenyl]-[(1R,8R)-5-pyrazin-2-yl-3,4,6,11-tetrazatricyclo[6.2.1.02,6]undeca-2,4-dien-11-yl]methanone
CID 87057040
7-bromo-3-methyl-2-[2-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118086306
[4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66599506
(7S)-5-[2-chloro-3-(trifluoromethyl)phenyl]-10-(5-fluoro-2-pyridinyl)-7-methyl-3,4,6,9,11,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 90456140

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-7-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of (6S)-6-methyl-7-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 86279088) is (6S)-6-methyl-7-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for (6S)-6-methyl-7-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for (6S)-6-methyl-7-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is Cc1c(CN2C(=O)c3nnc(-c4cnccn4)n3C[C@@H]2C)cccc1C(F)(F)F.
What is the InChIKey of (6S)-6-methyl-7-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is XCULOYOJSNYNKK-NSHDSACASA-N. The full InChI is InChI=1S/C19H17F3N6O/c1-11-9-28-16(15-8-23-6-7-24-15)25-26-17(28)18(29)27(11)10-13-4-3-5-14(12(13)2)19(20,21)22/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (6S)-6-methyl-7-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
(6S)-6-methyl-7-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 402.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-7-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 86279088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).