1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine

C19H21F3N6O2 — CID 176769561

IUPAC1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)n3cncc23)c(OC(F)(F)F)c1
InChIInChI=1S/C19H21F3N6O2/c1-27-7-3-4-12(10-27)24-18-26-25-17(15-9-23-11-28(15)18)14-6-5-13(29-2)8-16(14)30-19(20,21)22/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,24,26)/t12-/m1/s1
InChIKeyKKWOXOHVLXXBQT-GFCCVEGCSA-N
MW422.41 g/mol
LogP3.20
Rot. Bonds5

About 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine

1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine (PubChem CID 176769561) has the molecular formula C19H21F3N6O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine
PubChem CID176769561
Molecular FormulaC19H21F3N6O2
Molecular Weight422.41 g/mol
Exact Mass422.17
IUPAC Name1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)n3cncc23)c(OC(F)(F)F)c1
InChIInChI=1S/C19H21F3N6O2/c1-27-7-3-4-12(10-27)24-18-26-25-17(15-9-23-11-28(15)18)14-6-5-13(29-2)8-16(14)30-19(20,21)22/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,24,26)/t12-/m1/s1
InChIKeyKKWOXOHVLXXBQT-GFCCVEGCSA-N
XLogP3.20
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1-methylpiperidin-3-yl)pyrrolo[1,2-d][1,2,4]triazin-4-amine
CID 169153996
cis-(1R,2R)-2-[[1-[4-methoxy-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]-1-methylcyclohexan-1-ol
CID 176769590
N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine
CID 176769522
N-(1-ethylpiperidin-3-yl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-amine
CID 169153980
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine
CID 176769633
N-cyclohexyl-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine
CID 169153861
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
2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine
CID 171852474
cis-(1S,3R)-3-[[1-[4-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]cyclohexan-1-ol
CID 176769520
1-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine;formic acid
CID 175599265
1-(2-cyclopropyl-4-methoxyphenyl)-N-(1-methylpiperidin-3-yl)pyrrolo[1,2-d][1,2,4]triazin-4-amine
CID 169154103
2-[(3R)-3-[[8-fluoro-1-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol
CID 176769471

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine?
The IUPAC name of 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine (CID 176769561) is 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine.
What is the SMILES notation for 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine?
The canonical SMILES for 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine is COc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)n3cncc23)c(OC(F)(F)F)c1.
What is the InChIKey of 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine?
The InChIKey is KKWOXOHVLXXBQT-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21F3N6O2/c1-27-7-3-4-12(10-27)24-18-26-25-17(15-9-23-11-28(15)18)14-6-5-13(29-2)8-16(14)30-19(20,21)22/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,24,26)/t12-/m1/s1.
What are the key properties of 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine?
1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine has a molecular weight of 422.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine is sourced from PubChem (CID 176769561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).