(2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

C11H14FN5O4 — CID 137419899

IUPAC(2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESCOc1nc(N)nn2c([C@]3(F)CO[C@H](CO)[C@H]3O)cnc12
InChIInChI=1S/C11H14FN5O4/c1-20-9-8-14-2-6(17(8)16-10(13)15-9)11(12)4-21-5(3-18)7(11)19/h2,5,7,18-19H,3-4H2,1H3,(H2,13,16)/t5-,7-,11-/m1/s1
InChIKeyMJNGQYAPHBVRMT-DEHACQHWSA-N
MW299.26 g/mol
LogP-1.37
Rot. Bonds3

About (2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

(2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 137419899) has the molecular formula C11H14FN5O4 and a molecular weight of 299.26 g/mol. Its IUPAC name is (2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID137419899
Molecular FormulaC11H14FN5O4
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name(2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESCOc1nc(N)nn2c([C@]3(F)CO[C@H](CO)[C@H]3O)cnc12
InChIInChI=1S/C11H14FN5O4/c1-20-9-8-14-2-6(17(8)16-10(13)15-9)11(12)4-21-5(3-18)7(11)19/h2,5,7,18-19H,3-4H2,1H3,(H2,13,16)/t5-,7-,11-/m1/s1
InChIKeyMJNGQYAPHBVRMT-DEHACQHWSA-N
XLogP-1.37
TPSA128.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol with MolForge

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Related Compounds

5-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 78167418
(2R,3R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
CID 57276380
(2R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-dibromo-2-(hydroxymethyl)oxolan-3-ol
CID 154011880
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
(2R,3R,4S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 140693358
(2R,6S,7R)-2-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-5,6-dihydroxy-7-(hydroxymethyl)oxepane-2-carbonitrile
CID 163849303
(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol
CID 148902630
(2R,3S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 58455338
(2R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59824768
(2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 130373586
5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol
CID 75604918
(5R,6R,8R,9R)-6-(2-amino-6-methoxypurin-9-yl)-8-(hydroxymethyl)-1,7-dioxaspiro[4.4]nonan-9-ol
CID 67772128

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 137419899) is (2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is COc1nc(N)nn2c([C@]3(F)CO[C@H](CO)[C@H]3O)cnc12.
What is the InChIKey of (2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is MJNGQYAPHBVRMT-DEHACQHWSA-N. The full InChI is InChI=1S/C11H14FN5O4/c1-20-9-8-14-2-6(17(8)16-10(13)15-9)11(12)4-21-5(3-18)7(11)19/h2,5,7,18-19H,3-4H2,1H3,(H2,13,16)/t5-,7-,11-/m1/s1.
What are the key properties of (2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 299.26 g/mol, XLogP of -1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 137419899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).