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

C9H14N2O3 — CID 63271125

IUPAC2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CC(C)O)[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-5(12)4-11-9(14)7(3)6(2)8(13)10-11/h5,12H,4H2,1-3H3,(H,10,13)
InChIKeyANLQJMDQKIHUGW-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.47
Rot. Bonds2

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

2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 63271125) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID63271125
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CC(C)O)[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-5(12)4-11-9(14)7(3)6(2)8(13)10-11/h5,12H,4H2,1-3H3,(H,10,13)
InChIKeyANLQJMDQKIHUGW-UHFFFAOYSA-N
XLogP-0.47
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 63271125) is 2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(CC(C)O)[nH]c1=O.
What is the InChIKey of 2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is ANLQJMDQKIHUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(12)4-11-9(14)7(3)6(2)8(13)10-11/h5,12H,4H2,1-3H3,(H,10,13).
What are the key properties of 2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 198.22 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63271125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).