6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine

C23H30N6O — CID 156889311

IUPAC6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine
SMILESC1CCNCC1.CC.Cc1cn2nc(-c3ccc4c(=O)[nH]ncc4c3)cc(C)c2n1
InChIInChI=1S/C16H13N5O.C5H11N.C2H6/c1-9-5-14(20-21-8-10(2)18-15(9)21)11-3-4-13-12(6-11)7-17-19-16(13)22;1-2-4-6-5-3-1;1-2/h3-8H,1-2H3,(H,19,22);6H,1-5H2;1-2H3
InChIKeyACMUBESWNNBLQP-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.04
Rot. Bonds1

About 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine (PubChem CID 156889311) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine
PubChem CID156889311
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine
SMILESC1CCNCC1.CC.Cc1cn2nc(-c3ccc4c(=O)[nH]ncc4c3)cc(C)c2n1
InChIInChI=1S/C16H13N5O.C5H11N.C2H6/c1-9-5-14(20-21-8-10(2)18-15(9)21)11-3-4-13-12(6-11)7-17-19-16(13)22;1-2-4-6-5-3-1;1-2/h3-8H,1-2H3,(H,19,22);6H,1-5H2;1-2H3
InChIKeyACMUBESWNNBLQP-UHFFFAOYSA-N
XLogP4.04
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine?
The IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine (CID 156889311) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine.
What is the SMILES notation for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine?
The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine is C1CCNCC1.CC.Cc1cn2nc(-c3ccc4c(=O)[nH]ncc4c3)cc(C)c2n1.
What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine?
The InChIKey is ACMUBESWNNBLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O.C5H11N.C2H6/c1-9-5-14(20-21-8-10(2)18-15(9)21)11-3-4-13-12(6-11)7-17-19-16(13)22;1-2-4-6-5-3-1;1-2/h3-8H,1-2H3,(H,19,22);6H,1-5H2;1-2H3.
What are the key properties of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine?
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine has a molecular weight of 406.53 g/mol, XLogP of 4.04, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine is sourced from PubChem (CID 156889311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).