(2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C10H15N5O5 — CID 135623064

IUPAC(2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2nnc3c2NC=NC[C@@H]3O)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H15N5O5/c16-2-5-7(18)8(19)10(20-5)15-9-6(13-14-15)4(17)1-11-3-12-9/h3-5,7-8,10,16-19H,1-2H2,(H,11,12)/t4-,5+,7+,8+,10+/m0/s1
InChIKeyGALBIUBGGYFLMV-RFYRDATQSA-N
MW285.26 g/mol
LogP-2.62
Rot. Bonds2

About (2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 135623064) has the molecular formula C10H15N5O5 and a molecular weight of 285.26 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID135623064
Molecular FormulaC10H15N5O5
Molecular Weight285.26 g/mol
Exact Mass285.11
IUPAC Name(2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2nnc3c2NC=NC[C@@H]3O)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H15N5O5/c16-2-5-7(18)8(19)10(20-5)15-9-6(13-14-15)4(17)1-11-3-12-9/h3-5,7-8,10,16-19H,1-2H2,(H,11,12)/t4-,5+,7+,8+,10+/m0/s1
InChIKeyGALBIUBGGYFLMV-RFYRDATQSA-N
XLogP-2.62
TPSA145.25 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-2.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
CID 59649572
3-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 136772740
2-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
CID 7200516
2-[(3S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
CID 171699369
2-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
CID 57211261
(2R,3R)-2-(4-aminotriazolo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 21157911
5-chloro-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carbothioamide
CID 23271394
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-1,2,4-triazol-3-one
CID 135813144
(2R,3R,4S,5R)-2-(5-amino-7-hydroxy-7-methylsulfanyl-4H-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 175146158
(4S,5S)-9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
CID 124794322
(2R,3S,4R)-2-(hydroxymethyl)-5-(6-methyl-6-sulfanyl-3H-purin-9-yl)oxolane-3,4-diol
CID 23616816
acetic acid;2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
CID 23617674

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 135623064) is (2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@@H](n2nnc3c2NC=NC[C@@H]3O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is GALBIUBGGYFLMV-RFYRDATQSA-N. The full InChI is InChI=1S/C10H15N5O5/c16-2-5-7(18)8(19)10(20-5)15-9-6(13-14-15)4(17)1-11-3-12-9/h3-5,7-8,10,16-19H,1-2H2,(H,11,12)/t4-,5+,7+,8+,10+/m0/s1.
What are the key properties of (2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 285.26 g/mol, XLogP of -2.62, 2 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[(8S)-8-hydroxy-7,8-dihydro-4H-triazolo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 135623064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).