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

C15H17N5O2 — CID 122571805

IUPAC2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one
SMILESCCCc1nc(NCCn2ncc3ccccc3c2=O)no1
InChIInChI=1S/C15H17N5O2/c1-2-5-13-18-15(19-22-13)16-8-9-20-14(21)12-7-4-3-6-11(12)10-17-20/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,19)
InChIKeySWIKMDVDDPVFEU-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.84
Rot. Bonds6

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

2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one (PubChem CID 122571805) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one
PubChem CID122571805
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one
SMILESCCCc1nc(NCCn2ncc3ccccc3c2=O)no1
InChIInChI=1S/C15H17N5O2/c1-2-5-13-18-15(19-22-13)16-8-9-20-14(21)12-7-4-3-6-11(12)10-17-20/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,19)
InChIKeySWIKMDVDDPVFEU-UHFFFAOYSA-N
XLogP1.84
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one?
The IUPAC name of 2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one (CID 122571805) is 2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one is CCCc1nc(NCCn2ncc3ccccc3c2=O)no1.
What is the InChIKey of 2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one?
The InChIKey is SWIKMDVDDPVFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-2-5-13-18-15(19-22-13)16-8-9-20-14(21)12-7-4-3-6-11(12)10-17-20/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,19).
What are the key properties of 2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one?
2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one has a molecular weight of 299.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one is sourced from PubChem (CID 122571805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).