(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol

C11H15N5O4 — CID 58691071

IUPAC(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol
SMILESCc1ncnc2c1nnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C11H15N5O4/c1-5-7-9(13-4-12-5)16(15-14-7)10-11(2,19)8(18)6(3-17)20-10/h4,6,8,10,17-19H,3H2,1-2H3/t6-,8-,10-,11-/m1/s1
InChIKeySBDGLBSCDAVURP-SSQAQTMGSA-N
MW281.27 g/mol
LogP-1.47
Rot. Bonds2

About (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol

(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol (PubChem CID 58691071) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol
PubChem CID58691071
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol
SMILESCc1ncnc2c1nnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C11H15N5O4/c1-5-7-9(13-4-12-5)16(15-14-7)10-11(2,19)8(18)6(3-17)20-10/h4,6,8,10,17-19H,3H2,1-2H3/t6-,8-,10-,11-/m1/s1
InChIKeySBDGLBSCDAVURP-SSQAQTMGSA-N
XLogP-1.47
TPSA126.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol 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

(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methyl-2-(6-methylpurin-9-yl)oxolane-3,4-diol
CID 58691067
(2R,4R,5R)-2-[4-(hydroxyamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 89127357
(2R,3S,4R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 124554369
(2R,4S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 59998679
(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 122362415
(2S,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 162030901
2-[3-bromo-4-(hydroxyamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 72562984
(3R,4R,5R)-5-(hydroxymethyl)-2-[3-iodo-4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3-methyloxolane-3,4-diol
CID 70830410
(3R,4R,5R)-5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)-3-methyloxolane-3,4-diol
CID 46877246
1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 72562978
(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[6-(propoxyamino)purin-9-yl]oxolane-3,4-diol
CID 87668297
(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(6-morpholin-4-ylpurin-9-yl)oxolane-3,4-diol
CID 5273495

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol (CID 58691071) is (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol is Cc1ncnc2c1nnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O.
What is the InChIKey of (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol?
The InChIKey is SBDGLBSCDAVURP-SSQAQTMGSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-5-7-9(13-4-12-5)16(15-14-7)10-11(2,19)8(18)6(3-17)20-10/h4,6,8,10,17-19H,3H2,1-2H3/t6-,8-,10-,11-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol?
(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol has a molecular weight of 281.27 g/mol, XLogP of -1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(7-methyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol is sourced from PubChem (CID 58691071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).