2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one

C10H12F3N5O — CID 139494979

IUPAC2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCC(C)(C)n1c(N)nn2c(C(F)(F)F)ncc2c1=O
InChIInChI=1S/C10H12F3N5O/c1-9(2,3)17-6(19)5-4-15-7(10(11,12)13)18(5)16-8(17)14/h4H,1-3H3,(H2,14,16)
InChIKeyLDIQUZFJPMJZPI-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.25
Rot. Bonds

About 2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one

2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 139494979) has the molecular formula C10H12F3N5O and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID139494979
Molecular FormulaC10H12F3N5O
Molecular Weight275.23 g/mol
Exact Mass275.10
IUPAC Name2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCC(C)(C)n1c(N)nn2c(C(F)(F)F)ncc2c1=O
InChIInChI=1S/C10H12F3N5O/c1-9(2,3)17-6(19)5-4-15-7(10(11,12)13)18(5)16-8(17)14/h4H,1-3H3,(H2,14,16)
InChIKeyLDIQUZFJPMJZPI-UHFFFAOYSA-N
XLogP1.25
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one (CID 139494979) is 2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one is CC(C)(C)n1c(N)nn2c(C(F)(F)F)ncc2c1=O.
What is the InChIKey of 2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is LDIQUZFJPMJZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O/c1-9(2,3)17-6(19)5-4-15-7(10(11,12)13)18(5)16-8(17)14/h4H,1-3H3,(H2,14,16).
What are the key properties of 2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one?
2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 275.23 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 139494979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).