(2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

C10H13FN4O3 — CID 129071971

IUPAC(2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2cnc3n2NC=NC3)[C@H](F)[C@@H]1O
InChIInChI=1S/C10H13FN4O3/c11-8-9(17)6(3-16)18-10(8)5-1-13-7-2-12-4-14-15(5)7/h1,4,6,8-10,16-17H,2-3H2,(H,12,14)/t6-,8-,9-,10+/m1/s1
InChIKeyRMQXGFIGUFWBAC-QQRDMOCMSA-N
MW256.24 g/mol
LogP-0.90
Rot. Bonds2

About (2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

(2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 129071971) has the molecular formula C10H13FN4O3 and a molecular weight of 256.24 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID129071971
Molecular FormulaC10H13FN4O3
Molecular Weight256.24 g/mol
Exact Mass256.10
IUPAC Name(2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2cnc3n2NC=NC3)[C@H](F)[C@@H]1O
InChIInChI=1S/C10H13FN4O3/c11-8-9(17)6(3-16)18-10(8)5-1-13-7-2-12-4-14-15(5)7/h1,4,6,8-10,16-17H,2-3H2,(H,12,14)/t6-,8-,9-,10+/m1/s1
InChIKeyRMQXGFIGUFWBAC-QQRDMOCMSA-N
XLogP-0.90
TPSA91.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2R,3R,4S,5S)-4-fluoro-2-(hydroxymethyl)-5-(7H-purin-2-yl)oxolan-3-ol
CID 141159197
5-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 78167418
N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide
CID 153141776
N'-carbamimidoyl-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboximidamide;N-(diaminomethylidene)-5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-2-carboxamide
CID 160895103
5-[(2S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-2-sulfanylidenepyrimidin-4-one
CID 88940610
(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-a][1,3,5]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 67491471
4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6-dimethyl-1H-pyridin-2-one
CID 118004679
5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6-dimethyl-1H-pyrazin-2-one
CID 118004786
(3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67171845
4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one
CID 118004769
(2R,3S,4R,5R)-3-fluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 18665788
(3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol
CID 172642132

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 129071971) is (2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@@H](c2cnc3n2NC=NC3)[C@H](F)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is RMQXGFIGUFWBAC-QQRDMOCMSA-N. The full InChI is InChI=1S/C10H13FN4O3/c11-8-9(17)6(3-16)18-10(8)5-1-13-7-2-12-4-14-15(5)7/h1,4,6,8-10,16-17H,2-3H2,(H,12,14)/t6-,8-,9-,10+/m1/s1.
What are the key properties of (2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 256.24 g/mol, XLogP of -0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-(1,4-dihydroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 129071971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).