3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one

C15H21N3O2 — CID 139019565

IUPAC3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
SMILESCc1[nH]c(C)c2c(=O)n(C3CC(C)OC(C)C3)ncc12
InChIInChI=1S/C15H21N3O2/c1-8-5-12(6-9(2)20-8)18-15(19)14-11(4)17-10(3)13(14)7-16-18/h7-9,12,17H,5-6H2,1-4H3
InChIKeyFUDNTVJEIBFOPM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.47
Rot. Bonds1

About 3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one

3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one (PubChem CID 139019565) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
PubChem CID139019565
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
SMILESCc1[nH]c(C)c2c(=O)n(C3CC(C)OC(C)C3)ncc12
InChIInChI=1S/C15H21N3O2/c1-8-5-12(6-9(2)20-8)18-15(19)14-11(4)17-10(3)13(14)7-16-18/h7-9,12,17H,5-6H2,1-4H3
InChIKeyFUDNTVJEIBFOPM-UHFFFAOYSA-N
XLogP2.47
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one (CID 139019565) is 3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one is Cc1[nH]c(C)c2c(=O)n(C3CC(C)OC(C)C3)ncc12.
What is the InChIKey of 3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is FUDNTVJEIBFOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-8-5-12(6-9(2)20-8)18-15(19)14-11(4)17-10(3)13(14)7-16-18/h7-9,12,17H,5-6H2,1-4H3.
What are the key properties of 3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 275.35 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyloxan-4-yl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 139019565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).