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

C12H17N5O3 — CID 118409937

IUPAC[(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol
SMILESC[C@H]1C[C@H](c2cnn3c(N)ncnc23)OC1(CO)CO
InChIInChI=1S/C12H17N5O3/c1-7-2-9(20-12(7,4-18)5-19)8-3-16-17-10(8)14-6-15-11(17)13/h3,6-7,9,18-19H,2,4-5H2,1H3,(H2,13,14,15)/t7-,9+/m0/s1
InChIKeyQITIAOCPBMBQCT-IONNQARKSA-N
MW279.30 g/mol
LogP-0.47
Rot. Bonds3

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

[(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol (PubChem CID 118409937) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol
PubChem CID118409937
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name[(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol
SMILESC[C@H]1C[C@H](c2cnn3c(N)ncnc23)OC1(CO)CO
InChIInChI=1S/C12H17N5O3/c1-7-2-9(20-12(7,4-18)5-19)8-3-16-17-10(8)14-6-15-11(17)13/h3,6-7,9,18-19H,2,4-5H2,1H3,(H2,13,14,15)/t7-,9+/m0/s1
InChIKeyQITIAOCPBMBQCT-IONNQARKSA-N
XLogP-0.47
TPSA118.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[(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
[(2R,4S)-4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,3-dioxolan-2-yl]methanol
CID 68941416
2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol
CID 68941044
[(3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol
CID 170212867
[(3aS,4S,6R,6aR)-2,2-dimethyl-4-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 130418517
[[(2R,3S,4R,5S)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-4-ethenyl-3,4-dihydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphinothioyl] [6-[(1S)-1-fluoro-2-hydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate
CID 176612939
(3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-bis(hydroxymethyl)oxolan-3-ol
CID 131965837
8-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 170585238
2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-2-ol
CID 123596823
5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 123539025
[1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid
CID 130427538

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol?
The IUPAC name of [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol (CID 118409937) is [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol?
The canonical SMILES for [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol is C[C@H]1C[C@H](c2cnn3c(N)ncnc23)OC1(CO)CO.
What is the InChIKey of [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol?
The InChIKey is QITIAOCPBMBQCT-IONNQARKSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-7-2-9(20-12(7,4-18)5-19)8-3-16-17-10(8)14-6-15-11(17)13/h3,6-7,9,18-19H,2,4-5H2,1H3,(H2,13,14,15)/t7-,9+/m0/s1.
What are the key properties of [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol?
[(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol has a molecular weight of 279.30 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol is sourced from PubChem (CID 118409937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).