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

C12H16FN5O3 — CID 58039273

IUPAC(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESCc1nc(N)c2ncc([C@@H]3O[C@H](CO)[C@@H](O)[C@@]3(C)F)n2n1
InChIInChI=1S/C12H16FN5O3/c1-5-16-10(14)11-15-3-6(18(11)17-5)9-12(2,13)8(20)7(4-19)21-9/h3,7-9,19-20H,4H2,1-2H3,(H2,14,16,17)/t7-,8-,9+,12-/m1/s1
InChIKeyDJDPHEIUNKPHNE-KZFFXBSXSA-N
MW297.29 g/mol
LogP-0.46
Rot. Bonds2

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

(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol (PubChem CID 58039273) has the molecular formula C12H16FN5O3 and a molecular weight of 297.29 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
PubChem CID58039273
Molecular FormulaC12H16FN5O3
Molecular Weight297.29 g/mol
Exact Mass297.12
IUPAC Name(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESCc1nc(N)c2ncc([C@@H]3O[C@H](CO)[C@@H](O)[C@@]3(C)F)n2n1
InChIInChI=1S/C12H16FN5O3/c1-5-16-10(14)11-15-3-6(18(11)17-5)9-12(2,13)8(20)7(4-19)21-9/h3,7-9,19-20H,4H2,1-2H3,(H2,14,16,17)/t7-,8-,9+,12-/m1/s1
InChIKeyDJDPHEIUNKPHNE-KZFFXBSXSA-N
XLogP-0.46
TPSA118.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The IUPAC name of (2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol (CID 58039273) is (2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol is Cc1nc(N)c2ncc([C@@H]3O[C@H](CO)[C@@H](O)[C@@]3(C)F)n2n1.
What is the InChIKey of (2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The InChIKey is DJDPHEIUNKPHNE-KZFFXBSXSA-N. The full InChI is InChI=1S/C12H16FN5O3/c1-5-16-10(14)11-15-3-6(18(11)17-5)9-12(2,13)8(20)7(4-19)21-9/h3,7-9,19-20H,4H2,1-2H3,(H2,14,16,17)/t7-,8-,9+,12-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol?
(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol has a molecular weight of 297.29 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol is sourced from PubChem (CID 58039273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).