5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol

C11H15F2N5O3 — CID 123995276

IUPAC5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol
SMILESCOC(CO)C(O)C(F)Cc1cnc2c(N)nc(F)nn12
InChIInChI=1S/C11H15F2N5O3/c1-21-7(4-19)8(20)6(12)2-5-3-15-10-9(14)16-11(13)17-18(5)10/h3,6-8,19-20H,2,4H2,1H3,(H2,14,16,17)
InChIKeyZXMDEWVKNLLEHO-UHFFFAOYSA-N
MW303.27 g/mol
LogP-0.91
Rot. Bonds6

About 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol

5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol (PubChem CID 123995276) has the molecular formula C11H15F2N5O3 and a molecular weight of 303.27 g/mol. Its IUPAC name is 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol.

Molecular Properties

Compound Name5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol
PubChem CID123995276
Molecular FormulaC11H15F2N5O3
Molecular Weight303.27 g/mol
Exact Mass303.11
IUPAC Name5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol
SMILESCOC(CO)C(O)C(F)Cc1cnc2c(N)nc(F)nn12
InChIInChI=1S/C11H15F2N5O3/c1-21-7(4-19)8(20)6(12)2-5-3-15-10-9(14)16-11(13)17-18(5)10/h3,6-8,19-20H,2,4H2,1H3,(H2,14,16,17)
InChIKeyZXMDEWVKNLLEHO-UHFFFAOYSA-N
XLogP-0.91
TPSA118.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol?
The IUPAC name of 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol (CID 123995276) is 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol.
What is the SMILES notation for 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol?
The canonical SMILES for 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol is COC(CO)C(O)C(F)Cc1cnc2c(N)nc(F)nn12.
What is the InChIKey of 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol?
The InChIKey is ZXMDEWVKNLLEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5O3/c1-21-7(4-19)8(20)6(12)2-5-3-15-10-9(14)16-11(13)17-18(5)10/h3,6-8,19-20H,2,4H2,1H3,(H2,14,16,17).
What are the key properties of 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol?
5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol has a molecular weight of 303.27 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxypentane-1,3-diol is sourced from PubChem (CID 123995276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).