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

C15H20N6O3 — CID 171368706

IUPAC5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)(O)CCNc1cc(C2CNC(=O)NC2=O)nn2ccnc12
InChIInChI=1S/C15H20N6O3/c1-15(2,24)3-4-16-11-7-10(20-21-6-5-17-12(11)21)9-8-18-14(23)19-13(9)22/h5-7,9,16,24H,3-4,8H2,1-2H3,(H2,18,19,22,23)
InChIKeyMHBSSYBQFFCJKJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.23
Rot. Bonds5

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

5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368706) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368706
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)(O)CCNc1cc(C2CNC(=O)NC2=O)nn2ccnc12
InChIInChI=1S/C15H20N6O3/c1-15(2,24)3-4-16-11-7-10(20-21-6-5-17-12(11)21)9-8-18-14(23)19-13(9)22/h5-7,9,16,24H,3-4,8H2,1-2H3,(H2,18,19,22,23)
InChIKeyMHBSSYBQFFCJKJ-UHFFFAOYSA-N
XLogP0.23
TPSA120.65 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368706) is 5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is CC(C)(O)CCNc1cc(C2CNC(=O)NC2=O)nn2ccnc12.
What is the InChIKey of 5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is MHBSSYBQFFCJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-15(2,24)3-4-16-11-7-10(20-21-6-5-17-12(11)21)9-8-18-14(23)19-13(9)22/h5-7,9,16,24H,3-4,8H2,1-2H3,(H2,18,19,22,23).
What are the key properties of 5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 332.36 g/mol, XLogP of 0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).