(2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol

C9H18N2O3 — CID 146167025

IUPAC(2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)CN2CCCCN12
InChIInChI=1S/C9H18N2O3/c12-6-7-9(14)8(13)5-10-3-1-2-4-11(7)10/h7-9,12-14H,1-6H2/t7-,8-,9-/m1/s1
InChIKeyHLIVWZNWZPITRG-IWSPIJDZSA-N
MW202.25 g/mol
LogP-1.60
Rot. Bonds1

About (2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol

(2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol (PubChem CID 146167025) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol.

Molecular Properties

Compound Name(2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol
PubChem CID146167025
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)CN2CCCCN12
InChIInChI=1S/C9H18N2O3/c12-6-7-9(14)8(13)5-10-3-1-2-4-11(7)10/h7-9,12-14H,1-6H2/t7-,8-,9-/m1/s1
InChIKeyHLIVWZNWZPITRG-IWSPIJDZSA-N
XLogP-1.60
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazin-1-one
CID 146166573
(2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 67860397
(1Z,5R,6R,7R)-1-hydroxyimino-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine-6,7-diol
CID 146166683
(2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten
CID 59014492
(2R,3R,4R)-1-(2-aminoethyl)-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 10103686
(2S,3S,4S)-1-(2-aminoethyl)-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 10464837
(1R,2R,3R,8S,8aR)-3-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 10774503
(1S,2R,3R,7R,8S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 14164816
(1R,2R,3R,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 16760066
(3R,4R)-1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
CID 71316559
(2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 130313759
(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol
CID 46199752

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol?
The IUPAC name of (2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol (CID 146167025) is (2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol.
What is the SMILES notation for (2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol?
The canonical SMILES for (2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol is OC[C@@H]1[C@@H](O)[C@H](O)CN2CCCCN12.
What is the InChIKey of (2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol?
The InChIKey is HLIVWZNWZPITRG-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H18N2O3/c12-6-7-9(14)8(13)5-10-3-1-2-4-11(7)10/h7-9,12-14H,1-6H2/t7-,8-,9-/m1/s1.
What are the key properties of (2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol?
(2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol has a molecular weight of 202.25 g/mol, XLogP of -1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-(hydroxymethyl)-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]pyridazine-2,3-diol is sourced from PubChem (CID 146167025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).