2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol

C18H19F3N6O — CID 170685547

IUPAC2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol
SMILESCN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3O)n3ccnc23)C1
InChIInChI=1S/C18H19F3N6O/c1-26-7-2-3-12(10-26)23-15-17-22-6-8-27(17)16(25-24-15)13-5-4-11(9-14(13)28)18(19,20)21/h4-6,8-9,12,28H,2-3,7,10H2,1H3,(H,23,24)/t12-/m1/s1
InChIKeyCWBHPKVRCVXXAA-GFCCVEGCSA-N
MW392.39 g/mol
LogP3.02
Rot. Bonds3

About 2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol

2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol (PubChem CID 170685547) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol
PubChem CID170685547
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol
SMILESCN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3O)n3ccnc23)C1
InChIInChI=1S/C18H19F3N6O/c1-26-7-2-3-12(10-26)23-15-17-22-6-8-27(17)16(25-24-15)13-5-4-11(9-14(13)28)18(19,20)21/h4-6,8-9,12,28H,2-3,7,10H2,1H3,(H,23,24)/t12-/m1/s1
InChIKeyCWBHPKVRCVXXAA-GFCCVEGCSA-N
XLogP3.02
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 44530402
3-[6-(Propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 57418692
5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
CID 156887391
2-[3-(3-Ethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
CID 156887659
2-[6-[(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 139536431
5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol
CID 139536980
3-(6-(Methylamino)imidazo[1,2-b]pyridazin-3-yl)phenol
CID 52944340
2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]pyrrolo[1,2-d][1,2,4]triazin-1-yl]-5-(trifluoromethyl)phenol
CID 166460056
2-[3-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d]pyridazin-7-yl]-5-(trifluoromethyl)phenol
CID 166518686
2-[1-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d]pyridazin-7-yl]-5-(trifluoromethyl)phenol
CID 166518688
5-methyl-2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol
CID 169224882
2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol
CID 169224886

Frequently Asked Questions

What is the IUPAC name of 2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol (CID 170685547) is 2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol is CN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3O)n3ccnc23)C1.
What is the InChIKey of 2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol?
The InChIKey is CWBHPKVRCVXXAA-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19F3N6O/c1-26-7-2-3-12(10-26)23-15-17-22-6-8-27(17)16(25-24-15)13-5-4-11(9-14(13)28)18(19,20)21/h4-6,8-9,12,28H,2-3,7,10H2,1H3,(H,23,24)/t12-/m1/s1.
What are the key properties of 2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol?
2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol has a molecular weight of 392.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 170685547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).