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

C14H19F3N4O — CID 95287909

IUPAC(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1nnc2n1CCN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C2
InChIInChI=1S/C14H19F3N4O/c1-9-18-19-12-8-20(5-6-21(9)12)13(22)10-3-2-4-11(7-10)14(15,16)17/h10-11H,2-8H2,1H3/t10-,11+/m0/s1
InChIKeyBEEDRUXGCNWMJF-WDEREUQCSA-N
MW316.33 g/mol
LogP2.30
Rot. Bonds1

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

(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 95287909) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID95287909
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1nnc2n1CCN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C2
InChIInChI=1S/C14H19F3N4O/c1-9-18-19-12-8-20(5-6-21(9)12)13(22)10-3-2-4-11(7-10)14(15,16)17/h10-11H,2-8H2,1H3/t10-,11+/m0/s1
InChIKeyBEEDRUXGCNWMJF-WDEREUQCSA-N
XLogP2.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

(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
cycloheptyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 71930214
(4-tert-butylazepan-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 102557378
(3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119564483
2,2-dimethyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 59440887
(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone
CID 95291073
[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone
CID 95734324
1-adamantyl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 110722452
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxylic acid
CID 64575011
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 124504890
[3-(1-aminoethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 115969513
cyclopentyl-[3-[(2R)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 95833920

Frequently Asked Questions

What is the IUPAC name of (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone (CID 95287909) is (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone is Cc1nnc2n1CCN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C2.
What is the InChIKey of (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is BEEDRUXGCNWMJF-WDEREUQCSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-9-18-19-12-8-20(5-6-21(9)12)13(22)10-3-2-4-11(7-10)14(15,16)17/h10-11H,2-8H2,1H3/t10-,11+/m0/s1.
What are the key properties of (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 316.33 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 95287909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).