2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione

C9H14N2O4 — CID 82850960

IUPAC2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CC(O)CO)[nH]c1=O
InChIInChI=1S/C9H14N2O4/c1-5-6(2)9(15)11(10-8(5)14)3-7(13)4-12/h7,12-13H,3-4H2,1-2H3,(H,10,14)
InChIKeyYSFLHSFLTBEGMV-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.49
Rot. Bonds3

About 2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione

2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 82850960) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID82850960
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CC(O)CO)[nH]c1=O
InChIInChI=1S/C9H14N2O4/c1-5-6(2)9(15)11(10-8(5)14)3-7(13)4-12/h7,12-13H,3-4H2,1-2H3,(H,10,14)
InChIKeyYSFLHSFLTBEGMV-UHFFFAOYSA-N
XLogP-1.49
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 82850960) is 2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(CC(O)CO)[nH]c1=O.
What is the InChIKey of 2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is YSFLHSFLTBEGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-5-6(2)9(15)11(10-8(5)14)3-7(13)4-12/h7,12-13H,3-4H2,1-2H3,(H,10,14).
What are the key properties of 2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 214.22 g/mol, XLogP of -1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 82850960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).