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

C12H14ClFN4O2 — CID 59185543

IUPAC[(2S,3R,4S,5S)-5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol
SMILESC[C@H]1[C@H](F)[C@H](c2cc(Cl)c3c(N)ncnn23)O[C@@H]1CO
InChIInChI=1S/C12H14ClFN4O2/c1-5-8(3-19)20-11(9(5)14)7-2-6(13)10-12(15)16-4-17-18(7)10/h2,4-5,8-9,11,19H,3H2,1H3,(H2,15,16,17)/t5-,8-,9+,11+/m1/s1
InChIKeyRKEGINWLOZXBAC-YBPSPAFDSA-N
MW300.72 g/mol
LogP1.37
Rot. Bonds2

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

[(2S,3R,4S,5S)-5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol (PubChem CID 59185543) has the molecular formula C12H14ClFN4O2 and a molecular weight of 300.72 g/mol. Its IUPAC name is [(2S,3R,4S,5S)-5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,4S,5S)-5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol
PubChem CID59185543
Molecular FormulaC12H14ClFN4O2
Molecular Weight300.72 g/mol
Exact Mass300.08
IUPAC Name[(2S,3R,4S,5S)-5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol
SMILESC[C@H]1[C@H](F)[C@H](c2cc(Cl)c3c(N)ncnn23)O[C@@H]1CO
InChIInChI=1S/C12H14ClFN4O2/c1-5-8(3-19)20-11(9(5)14)7-2-6(13)10-12(15)16-4-17-18(7)10/h2,4-5,8-9,11,19H,3H2,1H3,(H2,15,16,17)/t5-,8-,9+,11+/m1/s1
InChIKeyRKEGINWLOZXBAC-YBPSPAFDSA-N
XLogP1.37
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5S)-5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol?
The IUPAC name of [(2S,3R,4S,5S)-5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol (CID 59185543) is [(2S,3R,4S,5S)-5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,4S,5S)-5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,3R,4S,5S)-5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol is C[C@H]1[C@H](F)[C@H](c2cc(Cl)c3c(N)ncnn23)O[C@@H]1CO.
What is the InChIKey of [(2S,3R,4S,5S)-5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol?
The InChIKey is RKEGINWLOZXBAC-YBPSPAFDSA-N. The full InChI is InChI=1S/C12H14ClFN4O2/c1-5-8(3-19)20-11(9(5)14)7-2-6(13)10-12(15)16-4-17-18(7)10/h2,4-5,8-9,11,19H,3H2,1H3,(H2,15,16,17)/t5-,8-,9+,11+/m1/s1.
What are the key properties of [(2S,3R,4S,5S)-5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol?
[(2S,3R,4S,5S)-5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol has a molecular weight of 300.72 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5S)-5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol is sourced from PubChem (CID 59185543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).