[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate

C18H24N4O5 — CID 170204341

IUPAC[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate
SMILESC[C@@]1(COC(=O)OC2CCOCC2)CC[C@H](c2ccc3c(N)ncnn23)O1
InChIInChI=1S/C18H24N4O5/c1-18(10-25-17(23)26-12-5-8-24-9-6-12)7-4-15(27-18)13-2-3-14-16(19)20-11-21-22(13)14/h2-3,11-12,15H,4-10H2,1H3,(H2,19,20,21)/t15-,18+/m1/s1
InChIKeyQGPUQIQCIFIJPB-QAPCUYQASA-N
MW376.41 g/mol
LogP2.25
Rot. Bonds4

About [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate

[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate (PubChem CID 170204341) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate.

Molecular Properties

Compound Name[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate
PubChem CID170204341
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate
SMILESC[C@@]1(COC(=O)OC2CCOCC2)CC[C@H](c2ccc3c(N)ncnn23)O1
InChIInChI=1S/C18H24N4O5/c1-18(10-25-17(23)26-12-5-8-24-9-6-12)7-4-15(27-18)13-2-3-14-16(19)20-11-21-22(13)14/h2-3,11-12,15H,4-10H2,1H3,(H2,19,20,21)/t15-,18+/m1/s1
InChIKeyQGPUQIQCIFIJPB-QAPCUYQASA-N
XLogP2.25
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate 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,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate?
The IUPAC name of [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate (CID 170204341) is [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate.
What is the SMILES notation for [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate?
The canonical SMILES for [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate is C[C@@]1(COC(=O)OC2CCOCC2)CC[C@H](c2ccc3c(N)ncnn23)O1.
What is the InChIKey of [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate?
The InChIKey is QGPUQIQCIFIJPB-QAPCUYQASA-N. The full InChI is InChI=1S/C18H24N4O5/c1-18(10-25-17(23)26-12-5-8-24-9-6-12)7-4-15(27-18)13-2-3-14-16(19)20-11-21-22(13)14/h2-3,11-12,15H,4-10H2,1H3,(H2,19,20,21)/t15-,18+/m1/s1.
What are the key properties of [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate?
[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate has a molecular weight of 376.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methyl oxan-4-yl carbonate is sourced from PubChem (CID 170204341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).