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

C13H18N6O2 — CID 126913500

IUPAC2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1noc(N2CCN(CCn3ncccc3=O)CC2)n1
InChIInChI=1S/C13H18N6O2/c1-11-15-13(21-16-11)18-8-5-17(6-9-18)7-10-19-12(20)3-2-4-14-19/h2-4H,5-10H2,1H3
InChIKeyBNMSZAISUXZSGU-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.24
Rot. Bonds4

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

2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913500) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913500
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1noc(N2CCN(CCn3ncccc3=O)CC2)n1
InChIInChI=1S/C13H18N6O2/c1-11-15-13(21-16-11)18-8-5-17(6-9-18)7-10-19-12(20)3-2-4-14-19/h2-4H,5-10H2,1H3
InChIKeyBNMSZAISUXZSGU-UHFFFAOYSA-N
XLogP-0.24
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913500) is 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one is Cc1noc(N2CCN(CCn3ncccc3=O)CC2)n1.
What is the InChIKey of 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is BNMSZAISUXZSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-11-15-13(21-16-11)18-8-5-17(6-9-18)7-10-19-12(20)3-2-4-14-19/h2-4H,5-10H2,1H3.
What are the key properties of 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 290.33 g/mol, XLogP of -0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).