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

C15H22F3N5O — CID 56780121

IUPAC2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1nnc2n1CCN(CC(=O)NC1CCC(C(F)(F)F)CC1)C2
InChIInChI=1S/C15H22F3N5O/c1-10-20-21-13-8-22(6-7-23(10)13)9-14(24)19-12-4-2-11(3-5-12)15(16,17)18/h11-12H,2-9H2,1H3,(H,19,24)
InChIKeyBUMKNAWWUOONJI-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.64
Rot. Bonds3

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

2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 56780121) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID56780121
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC Name2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1nnc2n1CCN(CC(=O)NC1CCC(C(F)(F)F)CC1)C2
InChIInChI=1S/C15H22F3N5O/c1-10-20-21-13-8-22(6-7-23(10)13)9-14(24)19-12-4-2-11(3-5-12)15(16,17)18/h11-12H,2-9H2,1H3,(H,19,24)
InChIKeyBUMKNAWWUOONJI-UHFFFAOYSA-N
XLogP1.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide 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

US10894794, Comp. Code No. GLP-140
CID 96445883
(2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide
CID 95311804
1-Cyclohexyl-3-((6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)urea
CID 119104832
piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 64577695
1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one
CID 70293943
1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;dihydrochloride
CID 89350335
[(3S,4S)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride
CID 134264099
[(3S,4S)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134264100
piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride
CID 134264225
(3-methylpiperidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134264757
(3-ethylpiperidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134275583
[(3S,4S)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134275588

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 56780121) is 2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide is Cc1nnc2n1CCN(CC(=O)NC1CCC(C(F)(F)F)CC1)C2.
What is the InChIKey of 2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is BUMKNAWWUOONJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O/c1-10-20-21-13-8-22(6-7-23(10)13)9-14(24)19-12-4-2-11(3-5-12)15(16,17)18/h11-12H,2-9H2,1H3,(H,19,24).
What are the key properties of 2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 56780121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).