5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde

C10H10FN5O2 — CID 123252189

IUPAC5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde
SMILESNc1nc(F)nn2c(C3CCC(C=O)O3)cnc12
InChIInChI=1S/C10H10FN5O2/c11-10-14-8(12)9-13-3-6(16(9)15-10)7-2-1-5(4-17)18-7/h3-5,7H,1-2H2,(H2,12,14,15)
InChIKeyLUWBJOBLJZNITE-UHFFFAOYSA-N
MW251.22 g/mol
LogP0.26
Rot. Bonds2

About 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde

5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde (PubChem CID 123252189) has the molecular formula C10H10FN5O2 and a molecular weight of 251.22 g/mol. Its IUPAC name is 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde
PubChem CID123252189
Molecular FormulaC10H10FN5O2
Molecular Weight251.22 g/mol
Exact Mass251.08
IUPAC Name5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde
SMILESNc1nc(F)nn2c(C3CCC(C=O)O3)cnc12
InChIInChI=1S/C10H10FN5O2/c11-10-14-8(12)9-13-3-6(16(9)15-10)7-2-1-5(4-17)18-7/h3-5,7H,1-2H2,(H2,12,14,15)
InChIKeyLUWBJOBLJZNITE-UHFFFAOYSA-N
XLogP0.26
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 130373586
5-(3,5-difluorophenyl)oxolane-2-carbaldehyde
CID 130584670
7-[(2S,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-4-amine
CID 71745547
5-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolane-2-carbaldehyde
CID 156542815
2-chloro-7-[(3R,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 167132890
5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2,2-bis(hydroxymethyl)oxolan-3-ol
CID 123324381
7-[(2S,3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-4-amine
CID 58013249
7-[(2R,4S,5R)-4-butoxy-5-(butoxymethyl)oxolan-2-yl]-4-ethoxy-2-methylsulfanylimidazo[2,1-f][1,2,4]triazine
CID 130373983
[(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol
CID 118409928
[[(2S,5R)-5-[2-chloro-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 167132892
7-[(2S,3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine
CID 58013237
(2S,3R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-hydroxy-4-oxooxolane-2-carbaldehyde
CID 10125407

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde?
The IUPAC name of 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde (CID 123252189) is 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde.
What is the SMILES notation for 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde?
The canonical SMILES for 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde is Nc1nc(F)nn2c(C3CCC(C=O)O3)cnc12.
What is the InChIKey of 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde?
The InChIKey is LUWBJOBLJZNITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O2/c11-10-14-8(12)9-13-3-6(16(9)15-10)7-2-1-5(4-17)18-7/h3-5,7H,1-2H2,(H2,12,14,15).
What are the key properties of 5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde?
5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde has a molecular weight of 251.22 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 7 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)oxolane-2-carbaldehyde is sourced from PubChem (CID 123252189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).