(2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol

C12H17N5O3 — CID 11065802

IUPAC(2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol
SMILESCNc1nc(C)nc2c([C@H]3C[C@@H](O)[C@@H](CO)O3)cnn12
InChIInChI=1S/C12H17N5O3/c1-6-15-11-7(4-14-17(11)12(13-2)16-6)9-3-8(19)10(5-18)20-9/h4,8-10,18-19H,3,5H2,1-2H3,(H,13,15,16)/t8-,9-,10-/m1/s1
InChIKeyIHHWGVBWGINFRZ-OPRDCNLKSA-N
MW279.30 g/mol
LogP-0.34
Rot. Bonds3

About (2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol

(2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol (PubChem CID 11065802) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol
PubChem CID11065802
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name(2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol
SMILESCNc1nc(C)nc2c([C@H]3C[C@@H](O)[C@@H](CO)O3)cnn12
InChIInChI=1S/C12H17N5O3/c1-6-15-11-7(4-14-17(11)12(13-2)16-6)9-3-8(19)10(5-18)20-9/h4,8-10,18-19H,3,5H2,1-2H3,(H,13,15,16)/t8-,9-,10-/m1/s1
InChIKeyIHHWGVBWGINFRZ-OPRDCNLKSA-N
XLogP-0.34
TPSA104.80 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 ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol with MolForge

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Related Compounds

(2S,3R,4S,5R)-2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CID 16063546
(2s,3r,4r,5r)-2-(4-Aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol
CID 10107750
(2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 74222475
[[(2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 74222738
(2R,3S,4R,5S)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-4-azido-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 74222474
[[(2R,3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-ethynyl-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
CID 118389453
(2R,3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-ethynyl-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 118389487
[[[(2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 131635743
(2R,3S,5S)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-4-azido-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 172032146
[[(2R,3R,4R,5S)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
CID 129905623
5-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentan-1-ol
CID 10467245
[(2S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)oxolan-2-yl]methanol
CID 10633505

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol?
The IUPAC name of (2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol (CID 11065802) is (2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol.
What is the SMILES notation for (2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol?
The canonical SMILES for (2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol is CNc1nc(C)nc2c([C@H]3C[C@@H](O)[C@@H](CO)O3)cnn12.
What is the InChIKey of (2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol?
The InChIKey is IHHWGVBWGINFRZ-OPRDCNLKSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-6-15-11-7(4-14-17(11)12(13-2)16-6)9-3-8(19)10(5-18)20-9/h4,8-10,18-19H,3,5H2,1-2H3,(H,13,15,16)/t8-,9-,10-/m1/s1.
What are the key properties of (2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol?
(2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol has a molecular weight of 279.30 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol is sourced from PubChem (CID 11065802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).