5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole

C16H24N6O — CID 71933012

IUPAC5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCCN(c3ccc(C)nn3)CC2)n1
InChIInChI=1S/C16H24N6O/c1-3-5-14-17-16(23-20-14)12-21-8-4-9-22(11-10-21)15-7-6-13(2)18-19-15/h6-7H,3-5,8-12H2,1-2H3
InChIKeyLTJDVAHWFBLITK-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.83
Rot. Bonds5

About 5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole

5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 71933012) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID71933012
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCCN(c3ccc(C)nn3)CC2)n1
InChIInChI=1S/C16H24N6O/c1-3-5-14-17-16(23-20-14)12-21-8-4-9-22(11-10-21)15-7-6-13(2)18-19-15/h6-7H,3-5,8-12H2,1-2H3
InChIKeyLTJDVAHWFBLITK-UHFFFAOYSA-N
XLogP1.83
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 171323647
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 29001704
4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 30596664
2-[3-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]propyl]-1,3-benzoxazole;hydroiodide
CID 126770961
2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 171996122
1-[(3-methoxy-4-methylphenyl)methyl]-4-(6-methylpyridazin-3-yl)-1,4-diazepane
CID 122139450
5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 139027734
3-ethyl-5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 51075932
N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 119923360
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone
CID 134706867
3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 18167572

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole (CID 71933012) is 5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CN2CCCN(c3ccc(C)nn3)CC2)n1.
What is the InChIKey of 5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is LTJDVAHWFBLITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-3-5-14-17-16(23-20-14)12-21-8-4-9-22(11-10-21)15-7-6-13(2)18-19-15/h6-7H,3-5,8-12H2,1-2H3.
What are the key properties of 5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 316.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 71933012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).