2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol

C19H20BrF3N6O — CID 170139776

IUPAC2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol
SMILESOCCN1CCCC(Nc2nnc(-c3ccc(Br)cc3C(F)(F)F)c3cncn23)C1
InChIInChI=1S/C19H20BrF3N6O/c20-12-3-4-14(15(8-12)19(21,22)23)17-16-9-24-11-29(16)18(27-26-17)25-13-2-1-5-28(10-13)6-7-30/h3-4,8-9,11,13,30H,1-2,5-7,10H2,(H,25,27)
InChIKeyKIZBQOPOXITWGW-UHFFFAOYSA-N
MW485.31 g/mol
LogP3.44
Rot. Bonds5

About 2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol

2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol (PubChem CID 170139776) has the molecular formula C19H20BrF3N6O and a molecular weight of 485.31 g/mol. Its IUPAC name is 2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol
PubChem CID170139776
Molecular FormulaC19H20BrF3N6O
Molecular Weight485.31 g/mol
Exact Mass484.08
IUPAC Name2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol
SMILESOCCN1CCCC(Nc2nnc(-c3ccc(Br)cc3C(F)(F)F)c3cncn23)C1
InChIInChI=1S/C19H20BrF3N6O/c20-12-3-4-14(15(8-12)19(21,22)23)17-16-9-24-11-29(16)18(27-26-17)25-13-2-1-5-28(10-13)6-7-30/h3-4,8-9,11,13,30H,1-2,5-7,10H2,(H,25,27)
InChIKeyKIZBQOPOXITWGW-UHFFFAOYSA-N
XLogP3.44
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-bromo-2-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine
CID 176769633
2-[(3R)-3-[[1-[4-bromo-2-(difluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol
CID 176769576
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-[(5R)-1-ethyl-5-fluoropiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine
CID 169154111
2-[(3R)-3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol
CID 171852733
1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine
CID 169153953
2-[4-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyrrolo[1,2-d][1,2,4]triazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852271
2-[(3R)-3-[[8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol
CID 176769529
N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine
CID 176769522
formic acid;2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,5-d][1,2,4]triazin-1-yl]-5-(trifluoromethyl)phenol
CID 175599350
1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine
CID 169153892
1-[2,4-bis(trifluoromethyl)phenyl]-N-(1-ethylpiperidin-3-yl)-7-methylpyrrolo[1,2-d][1,2,4]triazin-4-amine
CID 170139555
trans-(1S,2S)-2-[[1-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]cyclohexan-1-ol
CID 176769670

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol (CID 170139776) is 2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol is OCCN1CCCC(Nc2nnc(-c3ccc(Br)cc3C(F)(F)F)c3cncn23)C1.
What is the InChIKey of 2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol?
The InChIKey is KIZBQOPOXITWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF3N6O/c20-12-3-4-14(15(8-12)19(21,22)23)17-16-9-24-11-29(16)18(27-26-17)25-13-2-1-5-28(10-13)6-7-30/h3-4,8-9,11,13,30H,1-2,5-7,10H2,(H,25,27).
What are the key properties of 2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol?
2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol has a molecular weight of 485.31 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol is sourced from PubChem (CID 170139776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).