2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one

C16H17N5O2 — CID 72895935

IUPAC2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one
SMILESCCc1nnc(NCCn2nc(-c3ccccc3)ccc2=O)o1
InChIInChI=1S/C16H17N5O2/c1-2-14-18-19-16(23-14)17-10-11-21-15(22)9-8-13(20-21)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,17,19)
InChIKeyYLYCDISFYHJCSM-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.97
Rot. Bonds6

About 2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one

2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one (PubChem CID 72895935) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one
PubChem CID72895935
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one
SMILESCCc1nnc(NCCn2nc(-c3ccccc3)ccc2=O)o1
InChIInChI=1S/C16H17N5O2/c1-2-14-18-19-16(23-14)17-10-11-21-15(22)9-8-13(20-21)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,17,19)
InChIKeyYLYCDISFYHJCSM-UHFFFAOYSA-N
XLogP1.97
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one (CID 72895935) is 2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one is CCc1nnc(NCCn2nc(-c3ccccc3)ccc2=O)o1.
What is the InChIKey of 2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one?
The InChIKey is YLYCDISFYHJCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-2-14-18-19-16(23-14)17-10-11-21-15(22)9-8-13(20-21)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,17,19).
What are the key properties of 2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one?
2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one has a molecular weight of 311.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 72895935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).