[5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol

C15H17N5O2S — CID 91126974

IUPAC[5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol
SMILESCC1CC(CO)OC1c1cc(-c2nccs2)c2c(N)ncnn12
InChIInChI=1S/C15H17N5O2S/c1-8-4-9(6-21)22-13(8)11-5-10(15-17-2-3-23-15)12-14(16)18-7-19-20(11)12/h2-3,5,7-9,13,21H,4,6H2,1H3,(H2,16,18,19)
InChIKeyLHBGXJXHADTGCE-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.89
Rot. Bonds3

About [5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol

[5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol (PubChem CID 91126974) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is [5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol
PubChem CID91126974
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name[5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol
SMILESCC1CC(CO)OC1c1cc(-c2nccs2)c2c(N)ncnn12
InChIInChI=1S/C15H17N5O2S/c1-8-4-9(6-21)22-13(8)11-5-10(15-17-2-3-23-15)12-14(16)18-7-19-20(11)12/h2-3,5,7-9,13,21H,4,6H2,1H3,(H2,16,18,19)
InChIKeyLHBGXJXHADTGCE-UHFFFAOYSA-N
XLogP1.89
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-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

Related Compounds

[5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methyloxolan-2-yl]methanol
CID 91301761
methyl (E)-3-[4-amino-7-[5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylprop-2-enoate
CID 143861250
(2S,3S,4S,5S)-2-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-(hydroxymethyl)-4-methyloxolan-3-ol
CID 59185540
[(2S,3R,4R,5S)-5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3-methyloxolan-2-yl]methanol
CID 59185463
[(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
[(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol
CID 130373869
[(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol
CID 118409928
7-[(2R,3R,4S,5R)-4-fluoro-3-methyl-5-(nitrosomethyl)oxolan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 143921808
[(2S,3R,4R,5S)-5-(4-amino-5-ethynylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol
CID 59185538
(2S,3R,4R,5R)-2-[4-amino-5-(1H-imidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 135895395
(2R,3R,4R,5S)-5-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 70927184
5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 150755871

Frequently Asked Questions

What is the IUPAC name of [5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol?
The IUPAC name of [5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol (CID 91126974) is [5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol.
What is the SMILES notation for [5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol?
The canonical SMILES for [5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol is CC1CC(CO)OC1c1cc(-c2nccs2)c2c(N)ncnn12.
What is the InChIKey of [5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol?
The InChIKey is LHBGXJXHADTGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-8-4-9(6-21)22-13(8)11-5-10(15-17-2-3-23-15)12-14(16)18-7-19-20(11)12/h2-3,5,7-9,13,21H,4,6H2,1H3,(H2,16,18,19).
What are the key properties of [5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol?
[5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol has a molecular weight of 331.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol is sourced from PubChem (CID 91126974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).