2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine

C13H15N5O2 — CID 167972774

IUPAC2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine
SMILESc1cnnc(N2CCOC(c3nc(C4CC4)no3)C2)c1
InChIInChI=1S/C13H15N5O2/c1-2-11(16-14-5-1)18-6-7-19-10(8-18)13-15-12(17-20-13)9-3-4-9/h1-2,5,9-10H,3-4,6-8H2
InChIKeyQPNRYDHVEZDSNF-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.31
Rot. Bonds3

About 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine (PubChem CID 167972774) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine
PubChem CID167972774
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine
SMILESc1cnnc(N2CCOC(c3nc(C4CC4)no3)C2)c1
InChIInChI=1S/C13H15N5O2/c1-2-11(16-14-5-1)18-6-7-19-10(8-18)13-15-12(17-20-13)9-3-4-9/h1-2,5,9-10H,3-4,6-8H2
InChIKeyQPNRYDHVEZDSNF-UHFFFAOYSA-N
XLogP1.31
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine (CID 167972774) is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine is c1cnnc(N2CCOC(c3nc(C4CC4)no3)C2)c1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine?
The InChIKey is QPNRYDHVEZDSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-2-11(16-14-5-1)18-6-7-19-10(8-18)13-15-12(17-20-13)9-3-4-9/h1-2,5,9-10H,3-4,6-8H2.
What are the key properties of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine?
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine has a molecular weight of 273.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridazin-3-ylmorpholine is sourced from PubChem (CID 167972774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).