7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C15H15F3N4O2S — CID 91956675

IUPAC7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C15H15F3N4O2S/c16-15(17,18)14-20-19-13-9-21(6-7-22(13)14)25(23,24)12-5-4-10-2-1-3-11(10)8-12/h4-5,8H,1-3,6-7,9H2
InChIKeyKVLCKJJQVHZWHS-UHFFFAOYSA-N
MW372.37 g/mol
LogP1.99
Rot. Bonds2

About 7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 91956675) has the molecular formula C15H15F3N4O2S and a molecular weight of 372.37 g/mol. Its IUPAC name is 7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID91956675
Molecular FormulaC15H15F3N4O2S
Molecular Weight372.37 g/mol
Exact Mass372.09
IUPAC Name7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C15H15F3N4O2S/c16-15(17,18)14-20-19-13-9-21(6-7-22(13)14)25(23,24)12-5-4-10-2-1-3-11(10)8-12/h4-5,8H,1-3,6-7,9H2
InChIKeyKVLCKJJQVHZWHS-UHFFFAOYSA-N
XLogP1.99
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 36723855
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113
4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 110721496
4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)sulfonyl]benzoic acid
CID 110722524
N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48737342
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 29352357
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]ethanone
CID 9183526
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423400
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80668443
3-amino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119270347

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 91956675) is 7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is O=S(=O)(c1ccc2c(c1)CCC2)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KVLCKJJQVHZWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2S/c16-15(17,18)14-20-19-13-9-21(6-7-22(13)14)25(23,24)12-5-4-10-2-1-3-11(10)8-12/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 372.37 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 91956675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).