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

C18H14F3N5O — CID 66599614

IUPAC(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCn2c(nnc2-c2ccccn2)C1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)13-6-2-1-5-12(13)17(27)25-9-10-26-15(11-25)23-24-16(26)14-7-3-4-8-22-14/h1-8H,9-11H2
InChIKeySZDLZAFAHKHBDN-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.01
Rot. Bonds2

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

(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 66599614) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID66599614
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC Name(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCn2c(nnc2-c2ccccn2)C1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)13-6-2-1-5-12(13)17(27)25-9-10-26-15(11-25)23-24-16(26)14-7-3-4-8-22-14/h1-8H,9-11H2
InChIKeySZDLZAFAHKHBDN-UHFFFAOYSA-N
XLogP3.01
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66599506
(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone
CID 134793170
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 46093497
[2-chloro-3-(trifluoromethyl)phenyl]-(3-pyrrolidin-1-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66599718
(2,3-dichlorophenyl)-[3-(5-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66598905
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
(4-chloro-2-fluorophenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66599067
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
[2-chloro-3-(1,1-difluoroethyl)phenyl]-[3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;methane
CID 158931441
(2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 67969925
[4-(3-nitro-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 55626636
[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
CID 67452572

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 66599614) is (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCn2c(nnc2-c2ccccn2)C1.
What is the InChIKey of (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is SZDLZAFAHKHBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c19-18(20,21)13-6-2-1-5-12(13)17(27)25-9-10-26-15(11-25)23-24-16(26)14-7-3-4-8-22-14/h1-8H,9-11H2.
What are the key properties of (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(trifluoromethyl)phenyl]methanone?
(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 373.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 66599614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).