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

C15H21F3N4O — CID 95287190

IUPAC(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESCCc1nnc2n1CCN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C2
InChIInChI=1S/C15H21F3N4O/c1-2-12-19-20-13-9-21(6-7-22(12)13)14(23)10-4-3-5-11(8-10)15(16,17)18/h10-11H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeySEQGNGXCUUPQDG-MNOVXSKESA-N
MW330.35 g/mol
LogP2.55
Rot. Bonds2

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

(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 95287190) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID95287190
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESCCc1nnc2n1CCN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C2
InChIInChI=1S/C15H21F3N4O/c1-2-12-19-20-13-9-21(6-7-22(12)13)14(23)10-4-3-5-11(8-10)15(16,17)18/h10-11H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeySEQGNGXCUUPQDG-MNOVXSKESA-N
XLogP2.55
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone
CID 110262099
2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 47228592
2-cyclohexyl-1-[3-isopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-ethanone
CID 53193622
3-cyclopentyl-1-[3-isopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-propanone
CID 53193623
1-[3-(Propan-2-YL)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyrazin-7-YL]pentan-1-one
CID 53193646
cycloheptyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 71930214
2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 72005295
[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 164636022
(3S)-N,3-dimethyl-N-[(7-methyl-8-oxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]octanamide
CID 164638297
2-cyclopropyl-N,2-dimethyl-N-{[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}propanamide
CID 132391835
1-ethyl-N-methyl-N-{[8-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}cyclopropane-1-carboxamide
CID 136560297
5-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]heptan-1-one
CID 123760905

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone (CID 95287190) is (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone is CCc1nnc2n1CCN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C2.
What is the InChIKey of (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is SEQGNGXCUUPQDG-MNOVXSKESA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-2-12-19-20-13-9-21(6-7-22(12)13)14(23)10-4-3-5-11(8-10)15(16,17)18/h10-11H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 330.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 95287190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).