6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

C16H24N4O3 — CID 110921665

IUPAC6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CC(O)CN2CCC(C)CC2)c(=O)c2noc(C)c12
InChIInChI=1S/C16H24N4O3/c1-10-4-6-19(7-5-10)8-13(21)9-20-16(22)15-14(11(2)17-20)12(3)23-18-15/h10,13,21H,4-9H2,1-3H3
InChIKeyOXZUGCZXBKEGBD-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.09
Rot. Bonds4

About 6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 110921665) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID110921665
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CC(O)CN2CCC(C)CC2)c(=O)c2noc(C)c12
InChIInChI=1S/C16H24N4O3/c1-10-4-6-19(7-5-10)8-13(21)9-20-16(22)15-14(11(2)17-20)12(3)23-18-15/h10,13,21H,4-9H2,1-3H3
InChIKeyOXZUGCZXBKEGBD-UHFFFAOYSA-N
XLogP1.09
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 110921665) is 6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1nn(CC(O)CN2CCC(C)CC2)c(=O)c2noc(C)c12.
What is the InChIKey of 6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is OXZUGCZXBKEGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10-4-6-19(7-5-10)8-13(21)9-20-16(22)15-14(11(2)17-20)12(3)23-18-15/h10,13,21H,4-9H2,1-3H3.
What are the key properties of 6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 320.39 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 110921665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).