[(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol

C9H11N5O3 — CID 68941416

IUPAC[(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol
SMILESNc1ncnc2c([C@H]3CO[C@@H](CO)O3)cnn12
InChIInChI=1S/C9H11N5O3/c10-9-12-4-11-8-5(1-13-14(8)9)6-3-16-7(2-15)17-6/h1,4,6-7,15H,2-3H2,(H2,10,11,12)/t6-,7-/m1/s1
InChIKeyYQZPTGOBVBDDSI-RNFRBKRXSA-N
MW237.22 g/mol
LogP-0.89
Rot. Bonds2

About [(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol

[(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol (PubChem CID 68941416) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is [(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol
PubChem CID68941416
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name[(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol
SMILESNc1ncnc2c([C@H]3CO[C@@H](CO)O3)cnn12
InChIInChI=1S/C9H11N5O3/c10-9-12-4-11-8-5(1-13-14(8)9)6-3-16-7(2-15)17-6/h1,4,6-7,15H,2-3H2,(H2,10,11,12)/t6-,7-/m1/s1
InChIKeyYQZPTGOBVBDDSI-RNFRBKRXSA-N
XLogP-0.89
TPSA107.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol
CID 118409937
[(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol
CID 131743869
(2R,3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-ethynyl-3-methyloxolan-2-yl]methanol
CID 159858382
[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145902
[4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol
CID 22714952
(2S,3S,4R,5R)-2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 140674095
[(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol
CID 141336588
8-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 170585238
[(1R,2S,4R,5R)-4-(6-aminopurin-9-yl)-3,6-dioxabicyclo[3.2.0]heptan-2-yl]methanol
CID 10563492
[(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 10037827
5-amino-3-[(1R,6R,8R,10S,15R,17R,18S)-8-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3,12,18-trihydroxy-3-oxo-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 140899381
(3R,4R,5R)-2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-5-ethyl-4-methyl-3-phenylmethoxyoxolane-3-carbaldehyde
CID 159654343

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol?
The IUPAC name of [(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol (CID 68941416) is [(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol.
What is the SMILES notation for [(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol?
The canonical SMILES for [(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol is Nc1ncnc2c([C@H]3CO[C@@H](CO)O3)cnn12.
What is the InChIKey of [(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol?
The InChIKey is YQZPTGOBVBDDSI-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H11N5O3/c10-9-12-4-11-8-5(1-13-14(8)9)6-3-16-7(2-15)17-6/h1,4,6-7,15H,2-3H2,(H2,10,11,12)/t6-,7-/m1/s1.
What are the key properties of [(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol?
[(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol has a molecular weight of 237.22 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 68941416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).