6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione

C18H20N4O4 — CID 42942055

IUPAC6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione
SMILESCc1ccc(C)c(OCC(O)Cn2c(=O)c3nccnc3c(=O)n2C)c1
InChIInChI=1S/C18H20N4O4/c1-11-4-5-12(2)14(8-11)26-10-13(23)9-22-18(25)16-15(17(24)21(22)3)19-6-7-20-16/h4-8,13,23H,9-10H2,1-3H3
InChIKeyGHWZWWHGFFCJAJ-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.55
Rot. Bonds5

About 6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione

6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione (PubChem CID 42942055) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione.

Molecular Properties

Compound Name6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione
PubChem CID42942055
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione
SMILESCc1ccc(C)c(OCC(O)Cn2c(=O)c3nccnc3c(=O)n2C)c1
InChIInChI=1S/C18H20N4O4/c1-11-4-5-12(2)14(8-11)26-10-13(23)9-22-18(25)16-15(17(24)21(22)3)19-6-7-20-16/h4-8,13,23H,9-10H2,1-3H3
InChIKeyGHWZWWHGFFCJAJ-UHFFFAOYSA-N
XLogP0.55
TPSA99.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione with MolForge

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Related Compounds

(2S)-1-(2,5-dimethylphenoxy)-3-[4-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629005
1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 109411226
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-methylquinazolin-4-one
CID 110885773
1-(azepan-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 4320215
4-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-3-ethylpiperazin-2-one
CID 111436425
[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940353
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 46529527
5-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 100684487
1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol
CID 109411510
2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 18087097
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,5-dimethylphenoxy)propan-2-ol chloride
CID 21237529

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione?
The IUPAC name of 6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione (CID 42942055) is 6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione.
What is the SMILES notation for 6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione?
The canonical SMILES for 6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione is Cc1ccc(C)c(OCC(O)Cn2c(=O)c3nccnc3c(=O)n2C)c1.
What is the InChIKey of 6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione?
The InChIKey is GHWZWWHGFFCJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-11-4-5-12(2)14(8-11)26-10-13(23)9-22-18(25)16-15(17(24)21(22)3)19-6-7-20-16/h4-8,13,23H,9-10H2,1-3H3.
What are the key properties of 6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione?
6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione has a molecular weight of 356.38 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione is sourced from PubChem (CID 42942055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).