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

C11H9F3N6O — CID 91956799

IUPACpyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1cnccn1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H9F3N6O/c12-11(13,14)10-18-17-8-6-19(3-4-20(8)10)9(21)7-5-15-1-2-16-7/h1-2,5H,3-4,6H2
InChIKeyDTSYUOIUDOIXOE-UHFFFAOYSA-N
MW298.23 g/mol
LogP0.74
Rot. Bonds1

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

pyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 91956799) has the molecular formula C11H9F3N6O and a molecular weight of 298.23 g/mol. Its IUPAC name is pyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID91956799
Molecular FormulaC11H9F3N6O
Molecular Weight298.23 g/mol
Exact Mass298.08
IUPAC Namepyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1cnccn1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H9F3N6O/c12-11(13,14)10-18-17-8-6-19(3-4-20(8)10)9(21)7-5-15-1-2-16-7/h1-2,5H,3-4,6H2
InChIKeyDTSYUOIUDOIXOE-UHFFFAOYSA-N
XLogP0.74
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze pyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one
CID 90402524
Imidazo[1,2-a]pyrazin-2-yl-(4-methylpiperazin-1-yl)methanone
CID 57397738
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 72142910
[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
CID 97392163
[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
CID 97467328
[2-(4-ethyl-4H-1,2,4-triazol-3-yl)piperidino](2-pyrazinyl)methanone
CID 87052116
[2-(4-propyl-4H-1,2,4-triazol-3-yl)piperidino](2-pyrazinyl)methanone
CID 87052132
2-{2-[4-(Cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidine-1-carbonyl}pyrazine
CID 87052161
2-(3-{7-Cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyrazin-3-YL}piperidine-1-carbonyl)-5-methylpyrazine
CID 124073596
5-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazine-2-carboxamide
CID 75484192
[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 118745361
3-[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]pteridin-4(3H)-one
CID 124212549

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of pyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 91956799) is pyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(c1cnccn1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of pyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is DTSYUOIUDOIXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N6O/c12-11(13,14)10-18-17-8-6-19(3-4-20(8)10)9(21)7-5-15-1-2-16-7/h1-2,5H,3-4,6H2.
What are the key properties of pyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
pyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 298.23 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 91956799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).