2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione

C7H10N2O3 — CID 60877824

IUPAC2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione
SMILESCC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H10N2O3/c1-5(10)4-9-7(12)3-2-6(11)8-9/h2-3,5,10H,4H2,1H3,(H,8,11)
InChIKeyBJTWFTGRFCSYBI-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.08
Rot. Bonds2

About 2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione

2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione (PubChem CID 60877824) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione
PubChem CID60877824
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione
SMILESCC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H10N2O3/c1-5(10)4-9-7(12)3-2-6(11)8-9/h2-3,5,10H,4H2,1H3,(H,8,11)
InChIKeyBJTWFTGRFCSYBI-UHFFFAOYSA-N
XLogP-1.08
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Hydroxy-2-(2-hydroxyethyl)-4-methyl-2,3-dihydropyridazin-3-one
CID 2738075
6-Hydroxy-2-(2-hydroxyethyl)-2,3-dihydropyridazin-3-one
CID 228461
2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione
CID 2738074
1-(3-Fluoro-2-hydroxypropyl)-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 165595566
(E)-N'-(2-hydroxypropyl)but-2-enediamide
CID 21760079
N'-ethyl-N'-(2-hydroxyethyl)prop-2-enehydrazide
CID 87074863
N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide
CID 87130081
2-(2-methoxyethyl)-1H-pyridazine-3,6-dione
CID 138715540
N-ethyl-N'-(2-hydroxyethyl)prop-2-enehydrazide
CID 140406389
2-(2-Hydroxyethyl)-1,3-dihydropyridazin-6-one
CID 173040073
N'-(2-hydroxypropyl)but-2-enediamide
CID 173363492
2-(oxiran-2-ylmethyl)-1H-pyridazine-3,6-dione
CID 16785259

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione (CID 60877824) is 2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione is CC(O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione?
The InChIKey is BJTWFTGRFCSYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5(10)4-9-7(12)3-2-6(11)8-9/h2-3,5,10H,4H2,1H3,(H,8,11).
What are the key properties of 2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione?
2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione has a molecular weight of 170.17 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 60877824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).