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

C19H21F3N4O — CID 127906304

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
SMILESO=C(N1CCn2ncnc2C1)C1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)15-6-4-5-14(11-15)18(7-2-1-3-8-18)17(27)25-9-10-26-16(12-25)23-13-24-26/h4-6,11,13H,1-3,7-10,12H2
InChIKeyOYVXRWPFAAXDDY-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.54
Rot. Bonds2

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

6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone (PubChem CID 127906304) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
PubChem CID127906304
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
SMILESO=C(N1CCn2ncnc2C1)C1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)15-6-4-5-14(11-15)18(7-2-1-3-8-18)17(27)25-9-10-26-16(12-25)23-13-24-26/h4-6,11,13H,1-3,7-10,12H2
InChIKeyOYVXRWPFAAXDDY-UHFFFAOYSA-N
XLogP3.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone
CID 56575500
[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 119561328
1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
CID 154835572
(8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 99814639
[1-(3-fluorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55331330
(3-hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110928443
(2R)-4-[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 124703954
piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone
CID 55997592
[3,5-bis(trifluoromethyl)phenyl]-(5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl)methanone
CID 143775144
N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide
CID 47088076
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone (CID 127906304) is 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone is O=C(N1CCn2ncnc2C1)C1(c2cccc(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone?
The InChIKey is OYVXRWPFAAXDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c20-19(21,22)15-6-4-5-14(11-15)18(7-2-1-3-8-18)17(27)25-9-10-26-16(12-25)23-13-24-26/h4-6,11,13H,1-3,7-10,12H2.
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone?
6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone has a molecular weight of 378.40 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone is sourced from PubChem (CID 127906304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).