1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine

C18H15F6N5O — CID 169153892

IUPAC1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine
SMILESFC(F)(F)c1ccc(-c2nnc(NC3CCOCC3)n3cncc23)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F6N5O/c19-17(20,21)10-1-2-12(13(7-10)18(22,23)24)15-14-8-25-9-29(14)16(28-27-15)26-11-3-5-30-6-4-11/h1-2,7-9,11H,3-6H2,(H,26,28)
InChIKeyQFCQXUXAEPOUOW-UHFFFAOYSA-N
MW431.34 g/mol
LogP4.42
Rot. Bonds3

About 1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine

1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine (PubChem CID 169153892) has the molecular formula C18H15F6N5O and a molecular weight of 431.34 g/mol. Its IUPAC name is 1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine
PubChem CID169153892
Molecular FormulaC18H15F6N5O
Molecular Weight431.34 g/mol
Exact Mass431.12
IUPAC Name1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine
SMILESFC(F)(F)c1ccc(-c2nnc(NC3CCOCC3)n3cncc23)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F6N5O/c19-17(20,21)10-1-2-12(13(7-10)18(22,23)24)15-14-8-25-9-29(14)16(28-27-15)26-11-3-5-30-6-4-11/h1-2,7-9,11H,3-6H2,(H,26,28)
InChIKeyQFCQXUXAEPOUOW-UHFFFAOYSA-N
XLogP4.42
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine
CID 169153953
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
N-cyclohexyl-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine
CID 169153861
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine
CID 176769633
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-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol
CID 170139776
N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine
CID 176769522
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
1-[2,4-bis(trifluoromethyl)phenyl]-N-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrrolo[1,2-d][1,2,4]triazin-4-amine
CID 171852103
3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one
CID 170139819
1-[2,4-bis(trifluoromethyl)phenyl]-N-(1-ethylpiperidin-3-yl)-7-methylpyrrolo[1,2-d][1,2,4]triazin-4-amine
CID 170139555
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

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine?
The IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine (CID 169153892) is 1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine.
What is the SMILES notation for 1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine?
The canonical SMILES for 1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine is FC(F)(F)c1ccc(-c2nnc(NC3CCOCC3)n3cncc23)c(C(F)(F)F)c1.
What is the InChIKey of 1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine?
The InChIKey is QFCQXUXAEPOUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N5O/c19-17(20,21)10-1-2-12(13(7-10)18(22,23)24)15-14-8-25-9-29(14)16(28-27-15)26-11-3-5-30-6-4-11/h1-2,7-9,11H,3-6H2,(H,26,28).
What are the key properties of 1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine?
1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine has a molecular weight of 431.34 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine is sourced from PubChem (CID 169153892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).