(2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol

C10H13N5O4 — CID 70885247

IUPAC(2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2cnc(-c3ccn[nH]3)n2)C(O)C1O
InChIInChI=1S/C10H13N5O4/c16-3-6-7(17)8(18)10(19-6)15-4-11-9(14-15)5-1-2-12-13-5/h1-2,4,6-8,10,16-18H,3H2,(H,12,13)/t6-,7?,8?,10-/m1/s1
InChIKeyWPXKJDDWIXVSHL-NPDIDSPYSA-N
MW267.25 g/mol
LogP-1.72
Rot. Bonds3

About (2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol

(2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol (PubChem CID 70885247) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is (2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
PubChem CID70885247
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name(2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2cnc(-c3ccn[nH]3)n2)C(O)C1O
InChIInChI=1S/C10H13N5O4/c16-3-6-7(17)8(18)10(19-6)15-4-11-9(14-15)5-1-2-12-13-5/h1-2,4,6-8,10,16-18H,3H2,(H,12,13)/t6-,7?,8?,10-/m1/s1
InChIKeyWPXKJDDWIXVSHL-NPDIDSPYSA-N
XLogP-1.72
TPSA129.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
CID 59330625
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
CID 22213612
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
CID 142769782
1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 70989848
copper;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 174517530
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane
CID 161460881
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-[hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]oxolane-3,4-diol
CID 24984664
2-[1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazol-3-yl]acetamide
CID 139901304
1-[(3R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidamide
CID 59108290
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,2,4-triazole-3-carboximidamide
CID 46783251
methyl 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxylate
CID 172676671
(2R,3S,4R,5R)-2-(hydroxymethyl)-6-[5-methyl-3-(1H-pyrazol-5-yl)-1H-pyrazol-4-yl]oxane-3,4,5-triol
CID 175538198

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol?
The IUPAC name of (2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol (CID 70885247) is (2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol.
What is the SMILES notation for (2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol?
The canonical SMILES for (2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol is OC[C@H]1O[C@@H](n2cnc(-c3ccn[nH]3)n2)C(O)C1O.
What is the InChIKey of (2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol?
The InChIKey is WPXKJDDWIXVSHL-NPDIDSPYSA-N. The full InChI is InChI=1S/C10H13N5O4/c16-3-6-7(17)8(18)10(19-6)15-4-11-9(14-15)5-1-2-12-13-5/h1-2,4,6-8,10,16-18H,3H2,(H,12,13)/t6-,7?,8?,10-/m1/s1.
What are the key properties of (2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol?
(2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol has a molecular weight of 267.25 g/mol, XLogP of -1.72, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol is sourced from PubChem (CID 70885247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).