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

C15H17N5O2S — CID 91301761

IUPAC[5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methyloxolan-2-yl]methanol
SMILESCC1(CO)CCC(c2cc(-c3nccs3)c3c(N)ncnn23)O1
InChIInChI=1S/C15H17N5O2S/c1-15(7-21)3-2-11(22-15)10-6-9(14-17-4-5-23-14)12-13(16)18-8-19-20(10)12/h4-6,8,11,21H,2-3,7H2,1H3,(H2,16,18,19)
InChIKeyJMNWCWYCLHDTTC-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.04
Rot. Bonds3

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

[5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methyloxolan-2-yl]methanol (PubChem CID 91301761) 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]-2-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]-2-methyloxolan-2-yl]methanol
PubChem CID91301761
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]-2-methyloxolan-2-yl]methanol
SMILESCC1(CO)CCC(c2cc(-c3nccs3)c3c(N)ncnn23)O1
InChIInChI=1S/C15H17N5O2S/c1-15(7-21)3-2-11(22-15)10-6-9(14-17-4-5-23-14)12-13(16)18-8-19-20(10)12/h4-6,8,11,21H,2-3,7H2,1H3,(H2,16,18,19)
InChIKeyJMNWCWYCLHDTTC-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[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
4-amino-7-[(2R,5R)-5-azido-5-hydroxyoxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid
CID 173482677
[(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
(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
5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 150755871
methyl (2S)-2-[[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methoxymethylamino]propanoate
CID 166740422
[7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol
CID 71134520
(2S,3R,4S,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-4,5-dimethyloxolan-3-ol
CID 138598883
4-[4-amino-5-(4-aminophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylic acid
CID 130447831
[(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
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-cyanooxolan-2-yl]methyl 2-methylpropanoate
CID 176928997
(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

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]-2-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]-2-methyloxolan-2-yl]methanol (CID 91301761) is [5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-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]-2-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]-2-methyloxolan-2-yl]methanol is CC1(CO)CCC(c2cc(-c3nccs3)c3c(N)ncnn23)O1.
What is the InChIKey of [5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methyloxolan-2-yl]methanol?
The InChIKey is JMNWCWYCLHDTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-15(7-21)3-2-11(22-15)10-6-9(14-17-4-5-23-14)12-13(16)18-8-19-20(10)12/h4-6,8,11,21H,2-3,7H2,1H3,(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]-2-methyloxolan-2-yl]methanol?
[5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methyloxolan-2-yl]methanol has a molecular weight of 331.40 g/mol, XLogP of 2.04, 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]-2-methyloxolan-2-yl]methanol is sourced from PubChem (CID 91301761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).