6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one

C11H16N4O4 — CID 70213696

IUPAC6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one
SMILESO=C1NC2=C(CCN=N2)CN1[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C11H16N4O4/c16-5-8-7(17)3-9(19-8)15-4-6-1-2-12-14-10(6)13-11(15)18/h7-9,16-17H,1-5H2,(H,13,18)/t7-,8+,9+/m0/s1
InChIKeyNHYYXRCJLOWLOL-DJLDLDEBSA-N
MW268.27 g/mol
LogP-0.45
Rot. Bonds2

About 6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one

6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one (PubChem CID 70213696) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one.

Molecular Properties

Compound Name6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one
PubChem CID70213696
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one
SMILESO=C1NC2=C(CCN=N2)CN1[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C11H16N4O4/c16-5-8-7(17)3-9(19-8)15-4-6-1-2-12-14-10(6)13-11(15)18/h7-9,16-17H,1-5H2,(H,13,18)/t7-,8+,9+/m0/s1
InChIKeyNHYYXRCJLOWLOL-DJLDLDEBSA-N
XLogP-0.45
TPSA106.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylidene-1,3-diazinane-2,4-dione
CID 87928840
1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylidene-1,3-diazinane-2,4-dione
CID 87921655
(5R)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
CID 90295344
5-bromo-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
CID 72513072
6-amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-5-ium-2-one
CID 140732809
5-(ethoxymethylidene)-1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
CID 67912016
3-amino-N-[[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-1,3-diazinan-5-ylidene]methyl]propanamide
CID 175076144
5-(4-hydroxybut-1-ynyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
CID 135323079
6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-pyrimidine-2,5-dione;phosphoric acid
CID 174794357
(2R,5R)-5-(6-amino-2-methylidene-1,4-dihydro-1,3,5-triazin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90295339
2-hydroxy-3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-4-one
CID 177150363
2-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iodo-1H-pyrazol-3-one
CID 126703450

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one?
The IUPAC name of 6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one (CID 70213696) is 6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one.
What is the SMILES notation for 6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one?
The canonical SMILES for 6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one is O=C1NC2=C(CCN=N2)CN1[C@H]1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of 6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one?
The InChIKey is NHYYXRCJLOWLOL-DJLDLDEBSA-N. The full InChI is InChI=1S/C11H16N4O4/c16-5-8-7(17)3-9(19-8)15-4-6-1-2-12-14-10(6)13-11(15)18/h7-9,16-17H,1-5H2,(H,13,18)/t7-,8+,9+/m0/s1.
What are the key properties of 6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one?
6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one has a molecular weight of 268.27 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4,5,8-tetrahydropyrimido[4,5-c]pyridazin-7-one is sourced from PubChem (CID 70213696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).