2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

C17H25N7O — CID 171996122

IUPAC2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCN(c3ccc(N4CCCCC4)nn3)CC2)o1
InChIInChI=1S/C17H25N7O/c1-14-18-21-17(25-14)13-22-9-11-24(12-10-22)16-6-5-15(19-20-16)23-7-3-2-4-8-23/h5-6H,2-4,7-13H2,1H3
InChIKeyGMIJGTDXJRVYNT-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.48
Rot. Bonds4

About 2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 171996122) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID171996122
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCN(c3ccc(N4CCCCC4)nn3)CC2)o1
InChIInChI=1S/C17H25N7O/c1-14-18-21-17(25-14)13-22-9-11-24(12-10-22)16-6-5-15(19-20-16)23-7-3-2-4-8-23/h5-6H,2-4,7-13H2,1H3
InChIKeyGMIJGTDXJRVYNT-UHFFFAOYSA-N
XLogP1.48
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 171996122) is 2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is Cc1nnc(CN2CCN(c3ccc(N4CCCCC4)nn3)CC2)o1.
What is the InChIKey of 2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is GMIJGTDXJRVYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-14-18-21-17(25-14)13-22-9-11-24(12-10-22)16-6-5-15(19-20-16)23-7-3-2-4-8-23/h5-6H,2-4,7-13H2,1H3.
What are the key properties of 2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 343.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 171996122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).