5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

C18H17N5O3 — CID 171368319

IUPAC5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(COCc3ccccc3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C18H17N5O3/c24-17-14(9-20-18(25)21-17)15-8-13(16-19-6-7-23(16)22-15)11-26-10-12-4-2-1-3-5-12/h1-8,14H,9-11H2,(H2,20,21,24,25)
InChIKeyZGPYKPHIVUBMAK-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.37
Rot. Bonds5

About 5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368319) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368319
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(COCc3ccccc3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C18H17N5O3/c24-17-14(9-20-18(25)21-17)15-8-13(16-19-6-7-23(16)22-15)11-26-10-12-4-2-1-3-5-12/h1-8,14H,9-11H2,(H2,20,21,24,25)
InChIKeyZGPYKPHIVUBMAK-UHFFFAOYSA-N
XLogP1.37
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368319) is 5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is O=C1NCC(c2cc(COCc3ccccc3)c3nccn3n2)C(=O)N1.
What is the InChIKey of 5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is ZGPYKPHIVUBMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-17-14(9-20-18(25)21-17)15-8-13(16-19-6-7-23(16)22-15)11-26-10-12-4-2-1-3-5-12/h1-8,14H,9-11H2,(H2,20,21,24,25).
What are the key properties of 5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 351.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).