3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one

C10H12N4O3 — CID 10037092

IUPAC3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one
SMILESO=c1[nH]ncc2c1ncn2[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C10H12N4O3/c15-4-6-1-2-8(17-6)14-5-11-9-7(14)3-12-13-10(9)16/h3,5-6,8,15H,1-2,4H2,(H,13,16)/t6-,8+/m0/s1
InChIKeyOKXGAHUQRRLYHA-POYBYMJQSA-N
MW236.23 g/mol
LogP-0.21
Rot. Bonds2

About 3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one

3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one (PubChem CID 10037092) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one
PubChem CID10037092
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one
SMILESO=c1[nH]ncc2c1ncn2[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C10H12N4O3/c15-4-6-1-2-8(17-6)14-5-11-9-7(14)3-12-13-10(9)16/h3,5-6,8,15H,1-2,4H2,(H,13,16)/t6-,8+/m0/s1
InChIKeyOKXGAHUQRRLYHA-POYBYMJQSA-N
XLogP-0.21
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one with MolForge

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Related Compounds

3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one
CID 134398103
9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137132957
1-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]benzimidazole-4,6-diol
CID 54267379
[(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 67781518
[5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 14630171
1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one
CID 142256542
[(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 54315484
2-(ethylideneamino)-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 155804012
9-[5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
CID 14654356
1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
CID 130402904
[(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 67868000
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one?
The IUPAC name of 3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one (CID 10037092) is 3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one?
The canonical SMILES for 3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one is O=c1[nH]ncc2c1ncn2[C@H]1CC[C@@H](CO)O1.
What is the InChIKey of 3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one?
The InChIKey is OKXGAHUQRRLYHA-POYBYMJQSA-N. The full InChI is InChI=1S/C10H12N4O3/c15-4-6-1-2-8(17-6)14-5-11-9-7(14)3-12-13-10(9)16/h3,5-6,8,15H,1-2,4H2,(H,13,16)/t6-,8+/m0/s1.
What are the key properties of 3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one?
3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one has a molecular weight of 236.23 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 10037092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).