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

C19H12ClF6N5O — CID 118950324

IUPAC[3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(8R)-8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccnc(C(F)(F)F)c1Cl)N1CCn2c(nnc2C(F)(F)F)[C@H]1c1ccccc1
InChIInChI=1S/C19H12ClF6N5O/c20-12-11(6-7-27-14(12)18(21,22)23)16(32)30-8-9-31-15(28-29-17(31)19(24,25)26)13(30)10-4-2-1-3-5-10/h1-7,13H,8-9H2/t13-/m1/s1
InChIKeySMCLHCHMZJTZQT-CYBMUJFWSA-N
MW475.78 g/mol
LogP4.61
Rot. Bonds2

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

[3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(8R)-8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 118950324) has the molecular formula C19H12ClF6N5O and a molecular weight of 475.78 g/mol. Its IUPAC name is [3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(8R)-8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(8R)-8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID118950324
Molecular FormulaC19H12ClF6N5O
Molecular Weight475.78 g/mol
Exact Mass475.06
IUPAC Name[3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(8R)-8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccnc(C(F)(F)F)c1Cl)N1CCn2c(nnc2C(F)(F)F)[C@H]1c1ccccc1
InChIInChI=1S/C19H12ClF6N5O/c20-12-11(6-7-27-14(12)18(21,22)23)16(32)30-8-9-31-15(28-29-17(31)19(24,25)26)13(30)10-4-2-1-3-5-10/h1-7,13H,8-9H2/t13-/m1/s1
InChIKeySMCLHCHMZJTZQT-CYBMUJFWSA-N
XLogP4.61
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.78
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-chloro-3-(trifluoromethyl)phenyl]-(3-methyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 118950416
[2-chloro-3-(trifluoromethyl)phenyl]-[(8S)-3-methyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 118950414
2,3-dihydro-1,4-benzodioxin-6-yl-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91957106
[2-chloro-3-(trifluoromethyl)phenyl]-[3-cyclopropyl-8-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 118950162
2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 91957092
[3-chloro-2-(trifluoromethyl)-4-pyridinyl]-(5-pyridin-2-yl-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-dien-12-yl)methanone
CID 90414381
[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
CID 91957043
[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 91956917
[3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 118875618
[2-chloro-3-(trifluoromethyl)phenyl]-(3-cyclohexyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 118950346
4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one
CID 166384473
3-chloro-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]benzoic acid
CID 136550573

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(8R)-8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(8R)-8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 118950324) is [3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(8R)-8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(8R)-8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(8R)-8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(c1ccnc(C(F)(F)F)c1Cl)N1CCn2c(nnc2C(F)(F)F)[C@H]1c1ccccc1.
What is the InChIKey of [3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(8R)-8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is SMCLHCHMZJTZQT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H12ClF6N5O/c20-12-11(6-7-27-14(12)18(21,22)23)16(32)30-8-9-31-15(28-29-17(31)19(24,25)26)13(30)10-4-2-1-3-5-10/h1-7,13H,8-9H2/t13-/m1/s1.
What are the key properties of [3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(8R)-8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(8R)-8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 475.78 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(8R)-8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 118950324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).