5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine

C20H23F3N6O — CID 177182534

IUPAC5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine
SMILESCOc1cc(C(F)(F)F)cc(C)c1-c1nnc(NC2CCCN(C)C2)c2nccn12
InChIInChI=1S/C20H23F3N6O/c1-12-9-13(20(21,22)23)10-15(30-3)16(12)18-27-26-17(19-24-6-8-29(18)19)25-14-5-4-7-28(2)11-14/h6,8-10,14H,4-5,7,11H2,1-3H3,(H,25,26)
InChIKeyAWGKTMJJSHAHAF-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.63
Rot. Bonds4

About 5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine

5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine (PubChem CID 177182534) has the molecular formula C20H23F3N6O and a molecular weight of 420.44 g/mol. Its IUPAC name is 5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine.

Molecular Properties

Compound Name5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine
PubChem CID177182534
Molecular FormulaC20H23F3N6O
Molecular Weight420.44 g/mol
Exact Mass420.19
IUPAC Name5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine
SMILESCOc1cc(C(F)(F)F)cc(C)c1-c1nnc(NC2CCCN(C)C2)c2nccn12
InChIInChI=1S/C20H23F3N6O/c1-12-9-13(20(21,22)23)10-15(30-3)16(12)18-27-26-17(19-24-6-8-29(18)19)25-14-5-4-7-28(2)11-14/h6,8-10,14H,4-5,7,11H2,1-3H3,(H,25,26)
InChIKeyAWGKTMJJSHAHAF-UHFFFAOYSA-N
XLogP3.63
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-2-[5-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 155284541
2-[5-(hydroxymethyl)-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 170764620
5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine
CID 177182499
3-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 167137603
2-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 176905820
[6-[2-methoxy-4-(trifluoromethyl)phenyl]-3-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-4-yl]methanesulfonamide
CID 178140390
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715566
6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine
CID 175867644
3-methyl-2-[5-methyl-3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 170258663
[2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)phenyl] formate
CID 171852081
4-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-1-amine
CID 171852287
1-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]-8-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrrolo[1,2-d][1,2,4]triazin-4-amine
CID 171852643

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine?
The IUPAC name of 5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine (CID 177182534) is 5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine.
What is the SMILES notation for 5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine?
The canonical SMILES for 5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine is COc1cc(C(F)(F)F)cc(C)c1-c1nnc(NC2CCCN(C)C2)c2nccn12.
What is the InChIKey of 5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine?
The InChIKey is AWGKTMJJSHAHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6O/c1-12-9-13(20(21,22)23)10-15(30-3)16(12)18-27-26-17(19-24-6-8-29(18)19)25-14-5-4-7-28(2)11-14/h6,8-10,14H,4-5,7,11H2,1-3H3,(H,25,26).
What are the key properties of 5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine?
5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine has a molecular weight of 420.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine is sourced from PubChem (CID 177182534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).