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

C19H17F6N5 — CID 169153953

IUPAC1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine
SMILESFC(F)(F)c1ccc(-c2nnc(NC3CCCCC3)n3cncc23)c(C(F)(F)F)c1
InChIInChI=1S/C19H17F6N5/c20-18(21,22)11-6-7-13(14(8-11)19(23,24)25)16-15-9-26-10-30(15)17(29-28-16)27-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,27,29)
InChIKeyKAFRDWFWQNDWMZ-UHFFFAOYSA-N
MW429.37 g/mol
LogP5.57
Rot. Bonds3

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

1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine (PubChem CID 169153953) has the molecular formula C19H17F6N5 and a molecular weight of 429.37 g/mol. Its IUPAC name is 1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine
PubChem CID169153953
Molecular FormulaC19H17F6N5
Molecular Weight429.37 g/mol
Exact Mass429.14
IUPAC Name1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine
SMILESFC(F)(F)c1ccc(-c2nnc(NC3CCCCC3)n3cncc23)c(C(F)(F)F)c1
InChIInChI=1S/C19H17F6N5/c20-18(21,22)11-6-7-13(14(8-11)19(23,24)25)16-15-9-26-10-30(15)17(29-28-16)27-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,27,29)
InChIKeyKAFRDWFWQNDWMZ-UHFFFAOYSA-N
XLogP5.57
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.37
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine?
The IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine (CID 169153953) is 1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine.
What is the SMILES notation for 1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine?
The canonical SMILES for 1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine is FC(F)(F)c1ccc(-c2nnc(NC3CCCCC3)n3cncc23)c(C(F)(F)F)c1.
What is the InChIKey of 1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine?
The InChIKey is KAFRDWFWQNDWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6N5/c20-18(21,22)11-6-7-13(14(8-11)19(23,24)25)16-15-9-26-10-30(15)17(29-28-16)27-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,27,29).
What are the key properties of 1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine?
1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine has a molecular weight of 429.37 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine is sourced from PubChem (CID 169153953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).