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

C7H10N2O3 — CID 43509863

IUPAC2-(3-hydroxypropyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCCO)[nH]1
InChIInChI=1S/C7H10N2O3/c10-5-1-4-9-7(12)3-2-6(11)8-9/h2-3,10H,1,4-5H2,(H,8,11)
InChIKeyPHLOKBNLWMUKDM-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.08
Rot. Bonds3

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

2-(3-hydroxypropyl)-1H-pyridazine-3,6-dione (PubChem CID 43509863) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-1H-pyridazine-3,6-dione
PubChem CID43509863
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(3-hydroxypropyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCCO)[nH]1
InChIInChI=1S/C7H10N2O3/c10-5-1-4-9-7(12)3-2-6(11)8-9/h2-3,10H,1,4-5H2,(H,8,11)
InChIKeyPHLOKBNLWMUKDM-UHFFFAOYSA-N
XLogP-1.08
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

3-(3-Hydroxy-6-oxo-6H-pyridazin-1-yl)-propionic acid
CID 543990
6-Hydroxy-2-(2-hydroxyethyl)-2,3-dihydropyridazin-3-one
CID 228461
1-(Hydroxymethyl)-1,2-dihydro-3,6-pyridazinedione
CID 232161
1-(3-Fluoro-2-hydroxypropyl)-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 165595566
2-(2-Hydroxyethyl)-1,3-dihydropyridazin-6-one
CID 173040073
2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione
CID 10261794
2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione
CID 16793144
2-[(2R)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione
CID 30122873
2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione
CID 30122875
2-propyl-1H-pyridazine-3,6-dione
CID 39848286
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide
CID 43500367
2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione
CID 60877824

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(3-hydroxypropyl)-1H-pyridazine-3,6-dione (CID 43509863) is 2-(3-hydroxypropyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(3-hydroxypropyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(3-hydroxypropyl)-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(CCCO)[nH]1.
What is the InChIKey of 2-(3-hydroxypropyl)-1H-pyridazine-3,6-dione?
The InChIKey is PHLOKBNLWMUKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-5-1-4-9-7(12)3-2-6(11)8-9/h2-3,10H,1,4-5H2,(H,8,11).
What are the key properties of 2-(3-hydroxypropyl)-1H-pyridazine-3,6-dione?
2-(3-hydroxypropyl)-1H-pyridazine-3,6-dione has a molecular weight of 170.17 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 43509863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).