6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

C20H29N5O2 — CID 126862465

IUPAC6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(Cc3nnc(C4CC4)o3)CC2)n1
InChIInChI=1S/C20H29N5O2/c1-20(2,3)16-6-7-18(26)25(23-16)12-14-8-10-24(11-9-14)13-17-21-22-19(27-17)15-4-5-15/h6-7,14-15H,4-5,8-13H2,1-3H3
InChIKeyFNAUGYJZNKKCTH-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.71
Rot. Bonds5

About 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862465) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126862465
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(Cc3nnc(C4CC4)o3)CC2)n1
InChIInChI=1S/C20H29N5O2/c1-20(2,3)16-6-7-18(26)25(23-16)12-14-8-10-24(11-9-14)13-17-21-22-19(27-17)15-4-5-15/h6-7,14-15H,4-5,8-13H2,1-3H3
InChIKeyFNAUGYJZNKKCTH-UHFFFAOYSA-N
XLogP2.71
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126862465) is 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CCN(Cc3nnc(C4CC4)o3)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is FNAUGYJZNKKCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-20(2,3)16-6-7-18(26)25(23-16)12-14-8-10-24(11-9-14)13-17-21-22-19(27-17)15-4-5-15/h6-7,14-15H,4-5,8-13H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 371.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).