6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one

C16H23N5O2 — CID 126913763

IUPAC6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(Cc3ncc(C)o3)CC2)n1
InChIInChI=1S/C16H23N5O2/c1-13-3-4-16(22)21(18-13)10-9-19-5-7-20(8-6-19)12-15-17-11-14(2)23-15/h3-4,11H,5-10,12H2,1-2H3
InChIKeyHURFOULROGAIMZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.67
Rot. Bonds5

About 6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one

6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913763) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913763
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(Cc3ncc(C)o3)CC2)n1
InChIInChI=1S/C16H23N5O2/c1-13-3-4-16(22)21(18-13)10-9-19-5-7-20(8-6-19)12-15-17-11-14(2)23-15/h3-4,11H,5-10,12H2,1-2H3
InChIKeyHURFOULROGAIMZ-UHFFFAOYSA-N
XLogP0.67
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913763) is 6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one is Cc1ccc(=O)n(CCN2CCN(Cc3ncc(C)o3)CC2)n1.
What is the InChIKey of 6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is HURFOULROGAIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-13-3-4-16(22)21(18-13)10-9-19-5-7-20(8-6-19)12-15-17-11-14(2)23-15/h3-4,11H,5-10,12H2,1-2H3.
What are the key properties of 6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 317.39 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).