4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione

C10H13N3O3 — CID 144807855

IUPAC4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESCC(C)N1CCn2ncc(=O)c(O)c2C1=O
InChIInChI=1S/C10H13N3O3/c1-6(2)12-3-4-13-8(10(12)16)9(15)7(14)5-11-13/h5-6,15H,3-4H2,1-2H3
InChIKeyYCYDHKCRFZAHDU-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.19
Rot. Bonds1

About 4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione

4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (PubChem CID 144807855) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.

Molecular Properties

Compound Name4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
PubChem CID144807855
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESCC(C)N1CCn2ncc(=O)c(O)c2C1=O
InChIInChI=1S/C10H13N3O3/c1-6(2)12-3-4-13-8(10(12)16)9(15)7(14)5-11-13/h5-6,15H,3-4H2,1-2H3
InChIKeyYCYDHKCRFZAHDU-UHFFFAOYSA-N
XLogP-0.19
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The IUPAC name of 4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (CID 144807855) is 4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.
What is the SMILES notation for 4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The canonical SMILES for 4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is CC(C)N1CCn2ncc(=O)c(O)c2C1=O.
What is the InChIKey of 4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The InChIKey is YCYDHKCRFZAHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6(2)12-3-4-13-8(10(12)16)9(15)7(14)5-11-13/h5-6,15H,3-4H2,1-2H3.
What are the key properties of 4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione has a molecular weight of 223.23 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is sourced from PubChem (CID 144807855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).