(2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

C11H15N5O4 — CID 70995505

IUPAC(2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SMILESCC1(O)C(O)[C@@H](CO)O[C@H]1n1ccc2c(N)nnnc21
InChIInChI=1S/C11H15N5O4/c1-11(19)7(18)6(4-17)20-10(11)16-3-2-5-8(12)13-15-14-9(5)16/h2-3,6-7,10,17-19H,4H2,1H3,(H2,12,13,14)/t6-,7?,10-,11?/m1/s1
InChIKeyWVWSADHGQRTFJN-DXTWPMELSA-N
MW281.27 g/mol
LogP-1.59
Rot. Bonds2

About (2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

(2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (PubChem CID 70995505) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
PubChem CID70995505
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name(2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SMILESCC1(O)C(O)[C@@H](CO)O[C@H]1n1ccc2c(N)nnnc21
InChIInChI=1S/C11H15N5O4/c1-11(19)7(18)6(4-17)20-10(11)16-3-2-5-8(12)13-15-14-9(5)16/h2-3,6-7,10,17-19H,4H2,1H3,(H2,12,13,14)/t6-,7?,10-,11?/m1/s1
InChIKeyWVWSADHGQRTFJN-DXTWPMELSA-N
XLogP-1.59
TPSA139.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

[(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]peroxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 161389320
(2R,3S,4R,5R)-2-[4-(hydroxyamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 160652239
2-[4-(hydroxyamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 72562976
(2R,3R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 59795692
(2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol
CID 59645177
CID 140732651
CID 140732651
(3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-deuterioethyl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 141056181
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 121487046
[(2R,3R,4R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 71199518
1-[(2R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 174299087
(2R,4S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 59998679
(2R,3S,4R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 124554369

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The IUPAC name of (2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (CID 70995505) is (2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The canonical SMILES for (2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is CC1(O)C(O)[C@@H](CO)O[C@H]1n1ccc2c(N)nnnc21.
What is the InChIKey of (2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The InChIKey is WVWSADHGQRTFJN-DXTWPMELSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-11(19)7(18)6(4-17)20-10(11)16-3-2-5-8(12)13-15-14-9(5)16/h2-3,6-7,10,17-19H,4H2,1H3,(H2,12,13,14)/t6-,7?,10-,11?/m1/s1.
What are the key properties of (2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
(2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol has a molecular weight of 281.27 g/mol, XLogP of -1.59, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(4-aminopyrrolo[2,3-d]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is sourced from PubChem (CID 70995505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).