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

C11H16N6O3 — CID 74222475

IUPAC(2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESC[C@@]1(N)[C@H](O)[C@@H](CO)O[C@H]1c1cnn2c(N)ncnc12
InChIInChI=1S/C11H16N6O3/c1-11(13)7(19)6(3-18)20-8(11)5-2-16-17-9(5)14-4-15-10(17)12/h2,4,6-8,18-19H,3,13H2,1H3,(H2,12,14,15)/t6-,7-,8+,11-/m1/s1
InChIKeyBUPKMPMCEKZOJC-HGIWHZBTSA-N
MW280.29 g/mol
LogP-1.78
Rot. Bonds2

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

(2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol (PubChem CID 74222475) has the molecular formula C11H16N6O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is (2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
PubChem CID74222475
Molecular FormulaC11H16N6O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC Name(2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESC[C@@]1(N)[C@H](O)[C@@H](CO)O[C@H]1c1cnn2c(N)ncnc12
InChIInChI=1S/C11H16N6O3/c1-11(13)7(19)6(3-18)20-8(11)5-2-16-17-9(5)14-4-15-10(17)12/h2,4,6-8,18-19H,3,13H2,1H3,(H2,12,14,15)/t6-,7-,8+,11-/m1/s1
InChIKeyBUPKMPMCEKZOJC-HGIWHZBTSA-N
XLogP-1.78
TPSA144.81 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The IUPAC name of (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) is (2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol.
What is the SMILES notation for (2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The canonical SMILES for (2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol is C[C@@]1(N)[C@H](O)[C@@H](CO)O[C@H]1c1cnn2c(N)ncnc12.
What is the InChIKey of (2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The InChIKey is BUPKMPMCEKZOJC-HGIWHZBTSA-N. The full InChI is InChI=1S/C11H16N6O3/c1-11(13)7(19)6(3-18)20-8(11)5-2-16-17-9(5)14-4-15-10(17)12/h2,4,6-8,18-19H,3,13H2,1H3,(H2,12,14,15)/t6-,7-,8+,11-/m1/s1.
What are the key properties of (2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol?
(2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol has a molecular weight of 280.29 g/mol, XLogP of -1.78, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-4-amino-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol is sourced from PubChem (CID 74222475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).