(2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol

C10H16N6O4 — CID 90191161

IUPAC(2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol
SMILESC[C@@H](O)[C@@H](CO)O[C@H](CO)n1cnc2c(N)nnnc21
InChIInChI=1S/C10H16N6O4/c1-5(19)6(2-17)20-7(3-18)16-4-12-8-9(11)13-15-14-10(8)16/h4-7,17-19H,2-3H2,1H3,(H2,11,13,14)/t5-,6-,7-/m1/s1
InChIKeyUNXQKDRAJLHVKN-FSDSQADBSA-N
MW284.28 g/mol
LogP-1.95
Rot. Bonds6

About (2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol

(2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol (PubChem CID 90191161) has the molecular formula C10H16N6O4 and a molecular weight of 284.28 g/mol. Its IUPAC name is (2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol
PubChem CID90191161
Molecular FormulaC10H16N6O4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name(2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol
SMILESC[C@@H](O)[C@@H](CO)O[C@H](CO)n1cnc2c(N)nnnc21
InChIInChI=1S/C10H16N6O4/c1-5(19)6(2-17)20-7(3-18)16-4-12-8-9(11)13-15-14-10(8)16/h4-7,17-19H,2-3H2,1H3,(H2,11,13,14)/t5-,6-,7-/m1/s1
InChIKeyUNXQKDRAJLHVKN-FSDSQADBSA-N
XLogP-1.95
TPSA152.43 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

9-[(1R)-1-[(2R,3R)-1,3-dihydroxybutan-2-yl]oxy-2-hydroxyethyl]-2-(methylamino)-1H-purin-6-one
CID 137148777
2-amino-9-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]-1H-purin-6-one
CID 136502764
(2R,3S)-2-[(1R)-1-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]butane-1,3-diol
CID 70960272
(1R,2S)-1-(6-aminopurin-9-yl)-1-[(2S)-1-chloro-3-hydroxypropan-2-yl]oxypropan-2-ol
CID 121245886
4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 70991882
[(3S)-3-[1-(6-aminopurin-9-yl)ethoxy]-1-hydroxypentan-2-yl] methyl hydrogen phosphate
CID 173465381
[(2R,3R)-2-[1-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxyethoxy]-3-[[(2R,3R)-2-[1-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxyethoxy]-3-hydroxybutoxy]-hydroxyphosphinothioyl]oxybutoxy]-oxo-sulfanylphosphanium
CID 137208791
4-(chloroamino)-1-[(1R)-1-[(2R,3R)-1,3-dihydroxybutan-2-yl]oxy-2-hydroxyethyl]pyrimidin-2-one
CID 90124703
(1R,2S)-1-(6-aminopurin-9-yl)-1-[(2S)-1-dihydroxyphosphinothioyloxy-3-hydroxypropan-2-yl]oxypropan-2-ol
CID 130355888
2-(6-aminopurin-9-yl)pentane-1,4-diol
CID 58657770
(2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol
CID 168757086
(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol
CID 171447656

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol?
The IUPAC name of (2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol (CID 90191161) is (2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol.
What is the SMILES notation for (2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol?
The canonical SMILES for (2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol is C[C@@H](O)[C@@H](CO)O[C@H](CO)n1cnc2c(N)nnnc21.
What is the InChIKey of (2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol?
The InChIKey is UNXQKDRAJLHVKN-FSDSQADBSA-N. The full InChI is InChI=1S/C10H16N6O4/c1-5(19)6(2-17)20-7(3-18)16-4-12-8-9(11)13-15-14-10(8)16/h4-7,17-19H,2-3H2,1H3,(H2,11,13,14)/t5-,6-,7-/m1/s1.
What are the key properties of (2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol?
(2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol has a molecular weight of 284.28 g/mol, XLogP of -1.95, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(1R)-1-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-hydroxyethoxy]butane-1,3-diol is sourced from PubChem (CID 90191161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).