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

C16H23F3N4O — CID 95335042

IUPAC(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESCC(C)c1nnc2n1CCN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C2
InChIInChI=1S/C16H23F3N4O/c1-10(2)14-21-20-13-9-22(6-7-23(13)14)15(24)11-4-3-5-12(8-11)16(17,18)19/h10-12H,3-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyQZJCLGDFQSPHKX-NEPJUHHUSA-N
MW344.38 g/mol
LogP3.11
Rot. Bonds2

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

(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 95335042) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is (3-propan-2-yl-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-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID95335042
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESCC(C)c1nnc2n1CCN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C2
InChIInChI=1S/C16H23F3N4O/c1-10(2)14-21-20-13-9-22(6-7-23(13)14)15(24)11-4-3-5-12(8-11)16(17,18)19/h10-12H,3-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyQZJCLGDFQSPHKX-NEPJUHHUSA-N
XLogP3.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-propan-2-yl-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

(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 95287909
cycloheptyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 71930214
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 95350600
[3-(1-aminoethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 115969513
[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 95332533
(4-tert-butylazepan-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 102557378
(3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119564483
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxylic acid
CID 64575011
3-[(2S)-oxolan-2-yl]-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95978215
cyclopentyl-[3-[(2R)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 95833920
(2S)-2-[[(2S)-oxan-2-yl]methoxy]-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95323324
(4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one
CID 97119881

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-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-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone (CID 95335042) is (3-propan-2-yl-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-propan-2-yl-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-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone is CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C2.
What is the InChIKey of (3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is QZJCLGDFQSPHKX-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-10(2)14-21-20-13-9-22(6-7-23(13)14)15(24)11-4-3-5-12(8-11)16(17,18)19/h10-12H,3-9H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
(3-propan-2-yl-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 344.38 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-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 95335042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).